SCHEMBL7400840

SCHEMBL7400840

COC(=O)C(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
ITGAV P06756 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
KLK5 Q9Y337 1/20 0.43
BCL2 P10415 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA1 P00915 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL7400842 1.00 SYK (0.46) SYKITGAVPOLBALDH1A1MAPT
SCHEMBL7752664 0.91 SYK (0.47) SYKITGAVALDH1A1MAPTITGB3
SCHEMBL7752666 0.90 MMP2 (0.45) ITGAVPOLBITGB3ITGA2BCA1
SCHEMBL7041551 0.90 ITGAV (0.53) ITGAVALDH1A1MAPTITGB3ITGA2B
SCHEMBL27464973 0.90 ITGAV (0.53) ITGAVALDH1A1MAPTITGB3ITGA2B
SCHEMBL7748751 0.87 SYK (0.42) SYKITGAVALDH1A1MAPTITGB3
SCHEMBL7435403 0.85 POLB (0.47) ITGAVPOLBALDH1A1MAPTITGB3
SCHEMBL7435396 0.85 POLB (0.47) ITGAVPOLBALDH1A1MAPTITGB3
SCHEMBL8681893 0.83 ITGAV (0.41) SYKITGAVPOLBITGB3ITGA2B
SCHEMBL8681895 0.83 ITGAV (0.41) SYKITGAVPOLBITGB3ITGA2B

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
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed