SCHEMBL7405498

SCHEMBL7405498

CCCCS(=O)(=O)N[C@@H](CS(C)(=O)=O)C(=O)O.O=C(O)C1CCN1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.45
ITGA2B P08514 18/20 0.45
ITGAV P06756 2/20 0.43
CHRM2 P08172 1/20 0.43
SLC6A4 P31645 1/20 0.43
PRCP P42785 1/20 0.36

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
SCHEMBL7400749 0.91 ITGB3 (0.50) ITGB3ITGA2BITGAVCHRM2SLC6A4
Proline SCHEMBL7401865 0.85 ITGB3 (0.48) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7401816 0.78 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7400406 0.76 HDAC8 (0.35) PRCP
SCHEMBL7395698 0.73 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7402072 0.72 ITGB3 (0.48) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7402589 0.71 HDAC8 (0.35) ITGB3ITGA2BPRCP
SCHEMBL7403923 0.70 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7397454 0.70 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7262649 0.69 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4

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