SCHEMBL9540905

SCHEMBL9540905

C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O.Nc1ccccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.64
MMP2 P08253 9/20 0.52
MMP13 P45452 8/20 0.52
MMP1 P03956 7/20 0.52
MMP9 P14780 7/20 0.52
MMP3 P08254 6/20 0.52
MMP7 P09237 4/20 0.52
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
SLC1A1 P43005 2/20 0.48
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP8 P22894 3/20 0.44
MMP12 P39900 3/20 0.44
MMP14 P50281 3/20 0.44
GAA P10253 1/20 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
SCHEMBL8914019 0.86 ADAMTS4 (0.61) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL7468791 0.83 ADAMTS4 (0.69) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL7468779 0.83 ADAMTS4 (0.69) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL6806364 0.83 ADAMTS4 (0.69) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL9539647 0.83 MMP2 (0.66) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL4651862 0.79 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL1751961 0.79 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL8913990 0.77 ADAMTS4 (0.64) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL702794 0.76 ADAMTS4 (0.81) ADAMTS4MMP2MMP13MMP1MMP9
SCHEMBL702793 0.76 ADAMTS4 (0.81) ADAMTS4MMP2MMP13MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed