SCHEMBL1236770

SCHEMBL1236770

CC(C)C(O)(CO)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27982538 0.80 ALDH1A1 (0.32) ALDH1A1CYP2C19TSHRTDP1
SCHEMBL28823887 0.73 ALDH1A1 (0.37) ALDH1A1CYP2C19TSHRTDP1
SCHEMBL13343835 0.71
SCHEMBL7037853 0.71
SCHEMBL8445953 0.71 ALDH1A1 (0.41) ALDH1A1CYP2C19TSHR
SCHEMBL10297566 0.69
Phosphine SCHEMBL27893486 0.69 ALDH1A1 (0.39) ALDH1A1CYP2C19TSHR
SCHEMBL10448455 0.69 ALDH1A1 (0.39) ALDH1A1CYP2C19TSHR
SCHEMBL746608 0.69 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL26102541 0.69 ALDH1A1 (0.39) ALDH1A1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689757-B1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2014-08-27 EP claimed
CN-101362773-B Heterocyclic boronic acid compounds PHENOMIX CORP 2013-07-24 CN claimed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US claimed
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US claimed
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2010-05-13 US claimed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US claimed
CN-101362773-A Heterocyclic boronic acid compounds PHENOMIX CORP (US) 2009-02-11 CN claimed
EP-1997533-A1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors Phenomix Corporation (US) 2008-12-03 EP claimed
US-20080182995-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV PHENOMIX CORPORATION 2008-07-31 US claimed
US-7317109-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2008-01-08 US claimed
US-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis PHENOMIX CORPORATION 2007-03-15 US claimed
EP-1689757-A4 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2007-01-10 EP claimed
CN-1894261-A Heterocyclic boronic acid compounds PHENOMIX CORP (US) 2007-01-10 CN claimed
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV Forest Laboratories Holding Limited (BM) 2006-12-07 US claimed
US-20060264401-A1 METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV PHENOMIX CORPORATION 2006-11-23 US claimed
US-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-23 US claimed
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-16 US claimed
EP-1689757-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS Phenomix Corporation (US) 2006-08-16 EP claimed
WO-2005047297-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2005-05-26 WO claimed
CN-104583383-B Method for the performance for improving encapsulated spices 弗门尼舍有限公司 2018-04-20 CN disclosed
EP-3140310-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-03-15 EP disclosed
WO-2015171430-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
CN-104583383-A Method to improve the performance of encapsulated fragrances FIRMENICH & CIE 2015-04-29 CN disclosed
EP-1997533-B1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors PHENOMIX CORP (US) 2014-09-24 EP disclosed
EP-1689757-B1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2014-08-27 EP disclosed
CN-101362773-B Heterocyclic boronic acid compounds PHENOMIX CORP 2013-07-24 CN disclosed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US disclosed
WO-2012073038-A2 COMPOUNDS AND METHODS OF MAKING THE SAME UNIVERSITY OF SHEFFIELD (GB) 2012-06-07 WO disclosed
US-7906658-B2 Antidiabetic agents PHENOMIX CORPORATION (US) 2011-03-15 US disclosed
US-7884217-B2 Antidiabetic agents PHENOMIX CORPORATION (US) 2011-02-08 US disclosed
US-7825139-B2 Compounds and methods for selective inhibition of dipeptidyl peptidase-IV Forest Laboratories Holdings Limited (BM) 2010-11-02 US disclosed
US-7786312-B2 Methods of preparing heterocyclic boronic acids and derivatives thereof PHENOMIX CORPORATION (US) 2010-08-31 US disclosed
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US disclosed
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
US-7674913-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2010-03-09 US disclosed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US disclosed
CN-101362773-A Heterocyclic boronic acid compounds PHENOMIX CORP (US) 2009-02-11 CN disclosed
US-20080300413-A1 Methods of Preparing Hetercyclic Boronic Acids and Derivatives Thereof SINO-MED INTERNATIONAL ALLIANCE, INC. 2008-12-04 US disclosed
EP-1997533-A1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors Phenomix Corporation (US) 2008-12-03 EP disclosed
US-20080182995-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV PHENOMIX CORPORATION 2008-07-31 US disclosed
CN-101232890-A Methods of preparing heterocyclic boronic acids and derivatives thereof PHENOMIX CORP (US) 2008-07-30 CN disclosed
EP-1919485-A1 METHODS OF PREPARING HETERCYCLIC BORONIC ACIDS AND DERIVATIVES THEREOF Phenomix Corporation (US) 2008-05-14 EP disclosed
US-7317109-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2008-01-08 US disclosed
US-20070299036-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV PHENOMIX CORPORATION 2007-12-27 US disclosed
CN-101074238-A Heterocyclic boronic acid compounds PHENOMIX CORP (US) 2007-11-21 CN disclosed
US-20070185061-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis PHENOMIX CORPORATION 2007-08-09 US disclosed
US-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis PHENOMIX CORPORATION 2007-03-15 US disclosed
WO-2007016356-A1 METHODS OF PREPARING HETERCYCLIC BORONIC ACIDS AND DERIVATIVES THEREOF PHENOMIX CORPORATION (US) 2007-02-08 WO disclosed
EP-1743676-A1 Heterocyclic boronic acid derivatives, dipeptidyl peptidase IV inhibitors Phenomix Corporation (US) 2007-01-17 EP disclosed
EP-1689757-A4 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2007-01-10 EP disclosed
CN-1894261-A Heterocyclic boronic acid compounds PHENOMIX CORP (US) 2007-01-10 CN disclosed
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV Forest Laboratories Holding Limited (BM) 2006-12-07 US disclosed
US-20060264401-A1 METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV PHENOMIX CORPORATION 2006-11-23 US disclosed
US-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-23 US disclosed
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-16 US disclosed
EP-1689757-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS Phenomix Corporation (US) 2006-08-16 EP disclosed
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 EP disclosed
WO-2005047297-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2005-05-26 WO disclosed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 WO disclosed
WO-2002054931-A2 ALPHA-AMINOBORONIC ACIDS PREPARED BY NOVEL SYNTHETIC METHODS BRISTOL MYERS SQUIBB COMPANY P (US) 2002-07-18 WO disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 ALDH1A1 792/4885CYP2C19 465/4885TSHR 3506/4885
US-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis DPP4, DPP7, DPP3 ALDH1A1 1316/4885CYP2C19 1150/4885TSHR 335/4885
US-20080300413-A1 Methods of Preparing Hetercyclic Boronic Acids and Derivatives Thereof HLCS, NISCH, BTD ALDH1A1 3390/4885CYP2C19 389/4885TSHR 1588/4885
US-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ALDH1A1 983/4885CYP2C19 2656/4885TSHR 1912/4885
US-20070185061-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis DPP4, DPP7, DPP3 ALDH1A1 1159/4885CYP2C19 1820/4885TSHR 306/4885
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ALDH1A1 1030/4885CYP2C19 2687/4885TSHR 1962/4885
US-20080182995-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ALDH1A1 983/4885CYP2C19 2656/4885TSHR 1912/4885
US-20060264401-A1 METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 ALDH1A1 1520/4885CYP2C19 2475/4885TSHR 2056/4885
US-20070299036-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ALDH1A1 812/4885CYP2C19 1340/4885TSHR 3261/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 ALDH1A1 1584/4885CYP2C19 955/4885TSHR 228/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.