SCHEMBL7748705

SCHEMBL7748705

CCc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SYK P43405 1/20 0.38
CA2 P00918 11/20 0.37
CA1 P00915 8/20 0.37
ADAMTS4 O75173 1/20 0.37
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
BACE1 P56817 1/20 0.35
PTPRB P23467 1/20 0.35
GHSR Q92847 1/20 0.34

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
SCHEMBL7753338 0.92 CA1 (0.43) ALDH1A1ATML3MBTL1CA2CA1
SCHEMBL7748751 0.89 SYK (0.42) ALDH1A1SYKCA1CA12MAPT
SCHEMBL7748713 0.84 SYK (0.40) ALDH1A1SYKCA1CA12
SCHEMBL7752664 0.78 SYK (0.47) ALDH1A1ATMSYKMAPTBACE1
SCHEMBL7753608 0.77 ALDH1A1 (0.49) ALDH1A1L3MBTL1CA2CA1CA12
SCHEMBL7753629 0.77 ITGB3 (0.47)
SCHEMBL7400840 0.75 SYK (0.46) ALDH1A1SYKCA2CA1CA12
SCHEMBL7400842 0.75 SYK (0.46) ALDH1A1SYKCA2CA1CA12
SCHEMBL7748597 0.72 ALDH1A1 (0.39) ALDH1A1CA2CA1CA12CA9
SCHEMBL7041551 0.72 ITGAV (0.53) ALDH1A1MAPT

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