SCHEMBL8914019

SCHEMBL8914019

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 6/20 0.61
MMP2 P08253 6/20 0.50
MMP3 P08254 6/20 0.50
MMP13 P45452 6/20 0.50
MMP1 P03956 5/20 0.50
MMP7 P09237 4/20 0.50
MMP9 P14780 4/20 0.50
BCAT2 O15382 1/20 0.50
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
IKBKB O14920 2/20 0.46
CHUK O15111 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8913990 0.92 ADAMTS4 (0.64) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL8913118 0.89 MMP2 (0.67) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL9540905 0.86 ADAMTS4 (0.64) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL8914953 0.84 MMP2 (0.63) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL6806364 0.81 ADAMTS4 (0.69) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL7468779 0.81 ADAMTS4 (0.69) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL7468791 0.81 ADAMTS4 (0.69) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL8914187 0.80 ADAMTS4 (0.66) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL4651862 0.77 ADAMTS4 (1.00) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL1751961 0.77 ADAMTS4 (1.00) ADAMTS4MMP2MMP3MMP13MMP1

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
US-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed