SCHEMBL8175245

SCHEMBL8175245

N=C(N)c1ccc(CCCCC(=O)NC[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.48
ITGA2B P08514 11/20 0.48
MMP7 P09237 1/20 0.44
F2 P00734 6/20 0.44
TMPRSS6 Q8IU80 6/20 0.44

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
SCHEMBL7753667 0.87 ITGB3 (0.49) ITGB3ITGA2BMMP7
SCHEMBL8185091 0.86 ITGB3 (0.55) ITGB3ITGA2BF2
SCHEMBL7752449 0.86 ITGB3 (0.55) ITGB3ITGA2BMMP7
SCHEMBL27464968 0.85 ITGB3 (0.64) ITGB3ITGA2BF2TMPRSS6
SCHEMBL8185232 0.85 ITGB3 (0.63) ITGB3ITGA2BF2TMPRSS6
SCHEMBL27462389 0.85 ITGB3 (0.63) ITGB3ITGA2BF2TMPRSS6
SCHEMBL8185170 0.79 ITGB3 (0.54) ITGB3ITGA2BF2TMPRSS6
SCHEMBL8188715 0.78 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8185293 0.77 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL8189053 0.77 MMP2 (0.52) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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