SCHEMBL7444601

SCHEMBL7444601

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(C#CCNC(=N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s2)C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.43
ITGB3 P05106 15/20 0.43
ITGA2B P08514 15/20 0.43
ITGB1 P05556 5/20 0.43
ITGA5 P08648 5/20 0.43
ITGB5 P18084 4/20 0.43
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33

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
SCHEMBL7974354 0.87 ITGB3 (0.40) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7455940 0.84 ITGAV (0.47) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7456099 0.83 ITGAV (0.42) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7444593 0.82 ITGAV (0.45) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7455550 0.79 ITGAV (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7976674 0.79 ITGAV (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7455544 0.79 ITGAV (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7451760 0.78 ITGAV (0.60) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL6016242 0.75 ITGAV (0.53) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7446807 0.74 ITGAV (0.62) ITGAVITGB3ITGA2BITGB1ITGA5

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
EP-1187825-A1 THIOPHENE INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2002-03-20 EP disclosed
US-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 US disclosed
WO-2000075129-A1 THIOPHENE INTEGRIN INHIBITORS SHIRE BIOCHEM INC. (CA) 2000-12-14 WO disclosed