SCHEMBL890690

SCHEMBL890690

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.54
FEN1 P39748 16/20 0.54
GPR119 Q8TDV5 1/20 0.52
CASP1 P29466 1/20 0.45

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
SCHEMBL7266386 0.88 ALOX5AP (0.54) ALOX5APFEN1GPR119CASP1
SCHEMBL890655 0.87 ALOX5AP (0.53) ALOX5APFEN1GPR119CASP1
SCHEMBL1968159 0.86 ALOX5AP (0.59) ALOX5APFEN1CASP1
SCHEMBL6163597 0.86 GPR119 (0.53) ALOX5APFEN1GPR119
SCHEMBL8001453 0.84 ALOX5AP (0.51) ALOX5APFEN1GPR119
SCHEMBL7130070 0.82 ALOX5AP (0.55) ALOX5APFEN1
SCHEMBL5544964 0.82 USP2 (0.48) ALOX5APFEN1GPR119
SCHEMBL6162420 0.82 RXRA (0.43) ALOX5APFEN1
SCHEMBL6628076 0.81 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL6163373 0.81 ALOX5AP (0.46) ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732032-B2 3-aminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-08-15 US claimed
EP-2920146-B1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP claimed
US-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-15 US claimed
EP-2920146-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-09-23 EP claimed
WO-2014075754-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-22 WO claimed
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9732032-B2 3-aminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
EP-2920146-B1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
US-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-1185508-A2 INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2002-03-13 EP disclosed
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation MILLENNIUM PHARMACEUTICALS, INC. 2002-01-03 US disclosed
WO-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed
WO-2001038309-A1 β-AMINO ACID-, ASPARTIC ACID- AND DIAMINOPROPIONIC-BASED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-05-31 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO disclosed
WO-2000071508-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 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 (5 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-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES FADS1, FASN, FFAR3 ALOX5AP 301/4885FEN1 2338/4885GPR119 144/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 ALOX5AP 2598/4885FEN1 2773/4885GPR119 2798/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 ALOX5AP 2598/4885FEN1 2773/4885GPR119 2798/4885
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation F2, F12, PLAT ALOX5AP 3077/4885FEN1 3773/4885GPR119 3307/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 ALOX5AP 2598/4885FEN1 2773/4885GPR119 2798/4885

“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.