SCHEMBL7401698

SCHEMBL7401698

CS(=O)(=O)CC[C@H](NS(=O)(=O)CC1CCCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.45
ITGAV P06756 1/20 0.45
CPB2 Q96IY4 13/20 0.41
ITGA2B P08514 2/20 0.38
ACLY P53396 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL8174636 0.74 CPB2 (0.46) ITGB3ITGAVCPB2ITGA2BMMP2
SCHEMBL6170905 0.73 MMP2 (0.36) ITGB3ITGAVITGA2BMMP2MMP9
SCHEMBL7395698 0.73 ITGB3 (0.47) ITGB3ITGAVITGA2BMMP2MMP9
SCHEMBL5130761 0.73 MMP2 (0.36) ITGB3ITGAVITGA2BMMP2MMP9
SCHEMBL16000131 0.71 ACACB (0.38) ITGB3ITGAVACLY
Proline SCHEMBL7401865 0.70 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL16000112 0.69 ACACB (0.38) ITGB3ITGAVACLY
SCHEMBL7400749 0.69 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL26209690 0.69 PMP22 (0.36) MMP2MMP9
SCHEMBL16750037 0.69 PMP22 (0.36) MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765340-B1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2000-08-30 EP disclosed
US-5776927-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1998-07-07 US disclosed
US-5681844-A ANTITHROMBOTIC AGENTS, ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1997-10-28 US disclosed
US-5658939-A PREVENTION THROMBOSIS IN MAMMALS CORVAS INTERNATIONAL INC. (US) 1997-08-19 US disclosed
US-5646165-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1997-07-08 US disclosed
EP-0765340-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1995028420-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-10-26 WO disclosed