SCHEMBL507957

SCHEMBL507957

COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
ATR Q13535 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CDK1 P06493 1/20 0.43
CYP17A1 P05093 3/20 0.43
NAMPT P43490 1/20 0.43
LEF1 Q9UJU2 1/20 0.43
LCK P06239 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAF1 P04049 1/20 0.41
PSMB8 P28062 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL31557880 0.89 CYP17A1 (0.51) CA12CA1CA9ATRCYP17A1
SCHEMBL4984917 0.88 CA12 (0.52) CA12CA1CA9ATRSMN1; SMN2
SCHEMBL31557915 0.88 CYP17A1 (0.44) CA12CA1CA9ATRSMN1; SMN2
SCHEMBL509152 0.87 CA12 (0.53) CA12CA1CA9ALDH1A1GAA
SCHEMBL9081119 0.85 SMN1; SMN2 (0.66) CA12CA1CA9ATRSMN1; SMN2
SCHEMBL24730061 0.84 ATR (0.47) CA12CA1CA9ATRSMN1; SMN2
SCHEMBL21352074 0.84 ATR (0.47) CA12CA1CA9ATRSMN1; SMN2
SCHEMBL30641926 0.84 ATR (0.47) CA12CA1CA9ATRSMN1; SMN2
SCHEMBL4415627 0.84 ALDH1A1 (0.53) CA12CA1CA9ATRSMN1; SMN2
SCHEMBL17822878 0.84 ATR (0.47) CA12CA1CA9ATRSMN1; SMN2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383789-A Pyrazole compound as CRTH2 antagonists 艾克提麦斯医药品有限公司 2018-08-10 CN disclosed
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
CN-102884051-B Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-16 CN disclosed
CN-104829535-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2015-08-12 CN disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 EP disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 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 (3 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 CA12 4515/4885CA1 4167/4885CA9 3938/4885
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 CA12 4849/4885CA1 4479/4885CA9 4726/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT CA12 4555/4885CA1 4597/4885CA9 4465/4885

“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.