SCHEMBL7444692

SCHEMBL7444692

N=C(N)NCc1ccccc1-c1ccc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)OC(=O)C(F)(F)F)s1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.62
ITGAV P06756 11/20 0.62
ITGB5 P18084 8/20 0.62
ITGA2B P08514 11/20 0.58
ITGB1 P05556 7/20 0.51
ITGA5 P08648 7/20 0.51
DYRK1A Q13627 3/20 0.38
DYRK1B Q9Y463 3/20 0.38
PRP4K Q13523 1/20 0.38
F2 P00734 4/20 0.37
TMPRSS6 Q8IU80 4/20 0.37

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
Trifluoroacetic Acid SCHEMBL7444682 0.89 ITGB3 (0.78) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7447985 0.88 ITGB3 (0.58) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7451673 0.88 ITGB3 (0.62) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7445472 0.87 ITGB3 (0.63) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7451411 0.83 ITGB3 (0.60) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7449118 0.80 ITGB3 (0.60) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7452831 0.80 ITGB3 (0.47) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7450342 0.79 ITGB3 (0.55) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL6494126 0.79 ITGB3 (0.51) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7450238 0.78 ITGB3 (0.52) ITGB3ITGAVITGB5ITGA2BITGB1

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