SCHEMBL7753569

SCHEMBL7753569

N=C(N)c1ccc(OCCCC(=O)NC[C@H](NS(=O)(=O)c2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.55
ITGA2B P08514 14/20 0.55
ITGAV P06756 1/20 0.52
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP14 P50281 1/20 0.45
F2 P00734 3/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
TMPRSS6 Q8IU80 2/20 0.44
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL27547990 0.92 ITGB3 (0.66) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7752535 0.92 ITGB3 (0.66) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7748703 0.91 ITGB3 (0.55) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7752448 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL7753368 0.89 ITGB3 (0.67) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL27489722 0.89 ITGB3 (0.67) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7753423 0.88 ITGB3 (0.56) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7752313 0.84 ITGB3 (0.62) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7752349 0.83 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7752678 0.82 ITGAV (0.49) 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