SCHEMBL6029029

SCHEMBL6029029

O=C(OOc1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.54
ITGAV P06756 6/20 0.54
ITGA2B P08514 6/20 0.54
MMP7 P09237 1/20 0.52
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP13 P45452 1/20 0.48
KCNA5 P22460 1/20 0.48
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47

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
SCHEMBL7754801 0.78 BACE1 (0.66) ITGB3ITGAVITGA2BMMP7MMP1
SCHEMBL3924110 0.78 BACE1 (0.66) ITGB3ITGAVITGA2BMMP7MMP1
SCHEMBL7375788 0.76 SLC1A3 (0.66) ITGB3ITGAVITGA2BMMP7MMP1
Trifluoroacetic Acid SCHEMBL7656969 0.75 SLC1A3 (0.62) ITGB3ITGAVITGA2BMMP7MMP1
SCHEMBL6896602 0.72 BACE1 (0.59) ITGAVMMP2MMP9CTSLCTSS
SCHEMBL7656972 0.72 MMP7 (0.55) ITGB3ITGAVITGA2BMMP7MMP1
SCHEMBL5191038 0.72 L3MBTL1 (0.80) MMP7MMP1MMP2MMP9MMP13
SCHEMBL7065939 0.71 NPSR1 (0.68) ITGB3ITGAVITGA2BMMP7MMP1
SCHEMBL4145606 0.71 EEF2K (0.76) ITGB3ITGAVMMP7MMP1MMP2
SCHEMBL27568136 0.71 POLB (0.70) MMP7MMP1MMP2MMP9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP claimed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 WO claimed