SCHEMBL7224920

SCHEMBL7224920

COCC(C(=O)O)n1c(=O)[nH]cc(NS(=O)(=O)Cc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
PTK2B Q14289 1/20 0.42
F2 P00734 9/20 0.40
ACLY P53396 1/20 0.39
PRSS1 P07477 6/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL7233411 0.84 F2 (0.43) F2ACLYPRSS1PRSS2PRSS3
SCHEMBL8819784 0.80 F2 (0.42) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7341001 0.71 F2 (0.56) F2PRSS1PRSS2PRSS3
SCHEMBL7363189 0.69 F2 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6850665 0.68 F2 (0.55) F2PRSS1PRSS2PRSS3
SCHEMBL6358400 0.68 F2 (0.43) ALDH1A1MAPK1PTK2BF2ACLY
SCHEMBL7702634 0.68 F2 (0.47) ALDH1A1MAPK1PTK2BF2ACLY
SCHEMBL7224916 0.67 F2 (0.48) F2PRSS1PRSS2PRSS3
SCHEMBL8842027 0.66 F2 (0.55) F2PRSS1PRSS2PRSS3
SCHEMBL7340775 0.65 F2 (0.45) ALDH1A1F2ACLYPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608204-B1 Peptide aldehyde having arginine or arginine mimics at P1 and pyridone, pyrimidone, or uracil groups; antithrombosis agents CORVAS INTERNATIONAL, INC. 2003-08-19 US disclosed
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US disclosed
US-6008351-A PEPTIDE ALDEHYDE COMPOUNDS HAVING URACIL OR PYRIMIDIN-4-ONE GROUPS AS PART OF THE PEPTIDE BACKBONE; POTENT INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-12-28 US disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed