SCHEMBL1234977

SCHEMBL1234977

CCCC[C@H](O)[C@@H](O)CCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.52
CYP2D6 P10635 2/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CETP P11597 1/20 0.48
HTT P42858 1/20 0.48
UBE2N P61088 1/20 0.48
ALDH1A1 P00352 1/20 0.46
DNM1 Q05193 2/20 0.45
FDPS P14324 1/20 0.43
CA2 P00918 2/20 0.42

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
SCHEMBL7708644 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL30575899 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL600713 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL27881377 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL28501015 0.94 SPHK1 (0.61) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL258560 0.94 SPHK1 (0.48) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL30787405 0.91 SPHK1 (0.65) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL427800 0.91 SPHK1 (0.46) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL30787346 0.91 SPHK1 (0.65) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL14666494 0.91 SPHK1 (0.65) SPHK1CYP2D6GMNNLMNAPOLB

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 45 patents — showing the first 20. 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
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
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
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
WO-2021104355-A1 IMPURITIES OF HETEROCYCLIC BORONIC ACID COMPOUNDS AND CONTROL METHOD THEREOF 杭州华东医药集团新药研究院有限公司 2021-06-03 WO disclosed
EP-1997533-B1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors PHENOMIX CORP (US) 2014-09-24 EP disclosed
EP-1689757-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS Phenomix Corporation (US) 2006-08-16 EP disclosed
WO-2005047297-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2005-05-26 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 (7 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 SPHK1 2130/4885CYP2D6 342/4885GMNN 4604/4885
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 SPHK1 4090/4885CYP2D6 975/4885GMNN 4602/4885
US-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 SPHK1 1856/4885CYP2D6 2007/4885GMNN 3083/4885
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 SPHK1 1733/4885CYP2D6 1988/4885GMNN 3014/4885
US-20080182995-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 SPHK1 1856/4885CYP2D6 2007/4885GMNN 3083/4885
US-20060264401-A1 METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 SPHK1 2124/4885CYP2D6 1668/4885GMNN 3262/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 SPHK1 3740/4885CYP2D6 211/4885GMNN 3893/4885

“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.