SCHEMBL7748713

SCHEMBL7748713

CCc1ccccc1S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
ITGAV P06756 7/20 0.39
MALT1 Q9UDY8 1/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
NQO2 P16083 1/20 0.34
RECQL P46063 1/20 0.34
KCNA5 P22460 1/20 0.34
ITGA2 P17301 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL7748751 0.87 SYK (0.42) SYKITGAVALDH1A1CTSSCA12
SCHEMBL7748705 0.84 ALDH1A1 (0.38) SYKALDH1A1CA12CA1
SCHEMBL7748709 0.80 CACNA1B (0.36) SYKALDH1A1CTSSCTSKCA12
SCHEMBL7753344 0.78 MALT1 (0.37) SYKMALT1CTSSCTSKNQO2
SCHEMBL7753610 0.77 ITGAV (0.57) SYKITGAVMALT1POLBCTSS
SCHEMBL7753338 0.77 CA1 (0.43) ALDH1A1POLBCA12CA1
SCHEMBL7752664 0.76 SYK (0.47) SYKITGAVALDH1A1CTSS
SCHEMBL7748647 0.74 SYK (0.63) SYKCTSSCTSK
SCHEMBL7752653 0.74 CA1 (0.45) SYKITGAVALDH1A1CA1
SCHEMBL7655323 0.73 ITGAV (0.44) SYKITGAVPOLBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
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
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed