SCHEMBL7754743

SCHEMBL7754743

CCc1ccc(S(=O)(=O)N[C@@H](CNC(=O)CCNCC(=O)c2ccc(C(=N)N)cc2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.53
ITGA2B P08514 14/20 0.53
F2 P00734 4/20 0.46
TMPRSS6 Q8IU80 4/20 0.46
PLAU P00749 1/20 0.42
HPN P05981 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL7752492 0.90 ITGB3 (0.62) ITGB3ITGA2BF2TMPRSS6MMP2
SCHEMBL27448418 0.90 ITGB3 (0.62) ITGB3ITGA2BF2TMPRSS6MMP2
SCHEMBL7748737 0.88 ITGB3 (0.62) ITGB3ITGA2BF2TMPRSS6
SCHEMBL8185170 0.84 ITGB3 (0.54) ITGB3ITGA2BF2TMPRSS6PLAU
SCHEMBL7752448 0.82 ITGB3 (0.54) ITGB3ITGA2BF2TMPRSS6
SCHEMBL7752365 0.79 ITGB3 (0.62) ITGB3ITGA2BPLAUHPN
SCHEMBL7754731 0.79 ITGB3 (0.51) ITGB3ITGA2BF2TMPRSS6PLAU
SCHEMBL7752629 0.77 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7752361 0.77 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7748728 0.77 ITGB3 (0.60) ITGB3ITGA2BF2TMPRSS6MMP2

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