SCHEMBL7753423

SCHEMBL7753423

COc1ccc(S(=O)(=O)N[C@@H](CNC(=O)CCCCOc2ccc(C(=N)N)cc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.56
ITGA2B P08514 11/20 0.56
ITGAV P06756 1/20 0.51
MMP2 P08253 4/20 0.49
MMP9 P14780 2/20 0.49
HDAC1 Q13547 1/20 0.48
HPGD P15428 1/20 0.48
PLAU P00749 1/20 0.45
HPN P05981 1/20 0.45
MMP3 P08254 2/20 0.45
MMP13 P45452 2/20 0.45

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
SCHEMBL7748703 0.97 ITGB3 (0.55) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL27489722 0.92 ITGB3 (0.67) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7753368 0.92 ITGB3 (0.67) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL8189053 0.90 MMP2 (0.52) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7752535 0.89 ITGB3 (0.66) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL27547990 0.89 ITGB3 (0.66) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7752448 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7753569 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7752735 0.86 ITGB3 (0.59) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7748645 0.84 ITGAV (0.48) ITGB3ITGA2BITGAV

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