SCHEMBL1063416

SCHEMBL1063416

N[C@]1(C(=O)O)C[C@H](C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 1.00
▸ ALOX15 P16050 3/20 1.00
▸ ALDH1A1 P00352 2/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ GRM4 Q14833 6/20 0.68
▸ GRM2 Q14416 5/20 0.68
▸ GRM3 Q14832 5/20 0.68
▸ CYP2C19 P33261 4/20 0.68
▸ GRM6 O15303 3/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ GRM8 O00222 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ GRM5 P41594 1/20 0.68
▸ MTOR P42345 1/20 0.68
▸ GRM1 Q13255 1/20 0.68
▸ PLCB1 Q9NQ66 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65

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
SCHEMBL1263461 1.00 CYP1A2 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL1064244 1.00 CYP1A2 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL719389 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL4835874 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL179741 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL481144 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL2157698 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL935371 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL235442 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL3125919 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486892-B2 Blood coagulation factor inhibitors NOVO NORDISK HEALTH CARE AG (CH) 2013-07-16 — — US claimed
US-20110229453-A1 BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (CH) 2011-09-22 — — US claimed
US-20110003752-A1 New Blood Coagulation Factor Inhibitors NOVO NORDISK HEALTH CARE A/G (CH) 2011-01-06 — — US claimed
JP-2010536824-A — — 2010-12-02 — — JP claimed
EP-2235042-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS Novo Nordisk Health Care AG (CH) 2010-10-06 — — EP claimed
EP-2190860-A1 BLOOD COAGULATION FACTOR INHIBITORS Novo Nordisk Health Care AG (CH) 2010-06-02 — — EP claimed
WO-2009092758-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2009-07-30 — — WO claimed
WO-2009024571-A1 BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2009-02-26 — — WO claimed
US-20190274334-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-09-12 — — US disclosed
US-20190274334-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-09-12 — — US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 — — US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 — — US disclosed
US-8486892-B2 Blood coagulation factor inhibitors NOVO NORDISK HEALTH CARE AG (CH) 2013-07-16 — — US disclosed
US-20110229453-A1 BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (CH) 2011-09-22 — — US disclosed
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-06-22 — — US disclosed
EP-1572645-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX Enobia Pharma Inc. (CA) 2005-09-14 — — EP disclosed
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex BIOMEP INC. 2004-09-23 — — US disclosed
WO-2004050620-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX ENOBIA PHARMA (CA) 2004-06-17 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (4 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-20110003752-A1 New Blood Coagulation Factor Inhibitors F7, F12, F5 CYP1A2 1341/4885ALOX15 1914/4885ALDH1A1 4724/4885
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, PGD CYP1A2 1550/4885ALOX15 2056/4885ALDH1A1 1271/4885
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, GCDH CYP1A2 1488/4885ALOX15 1969/4885ALDH1A1 1091/4885
US-20110229453-A1 BLOOD COAGULATION FACTOR INHIBITORS F5, TFPI, F7 CYP1A2 492/4885ALOX15 1124/4885ALDH1A1 2165/4885

“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.

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