SCHEMBL8913990

SCHEMBL8913990

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 7/20 0.64
BCAT2 O15382 1/20 0.56
MMP2 P08253 5/20 0.51
MMP9 P14780 4/20 0.51
MMP3 P08254 3/20 0.51
MMP13 P45452 3/20 0.51
MMP1 P03956 2/20 0.51
MMP7 P09237 2/20 0.51
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 3/20 0.45
SLC1A1 P43005 3/20 0.45
KAT6A Q92794 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
SCHEMBL8914019 0.92 ADAMTS4 (0.61) ADAMTS4BCAT2MMP2MMP9MMP3
SCHEMBL8914187 0.88 ADAMTS4 (0.66) ADAMTS4BCAT2MMP2MMP9MMP3
SCHEMBL702794 0.82 ADAMTS4 (0.81) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL790069 0.82 ADAMTS4 (0.81) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL702793 0.82 ADAMTS4 (0.81) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL8912407 0.81 MMP2 (0.67) ADAMTS4BCAT2MMP2MMP9MMP3
SCHEMBL8913118 0.80 MMP2 (0.67) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL8914320 0.80 BCAT2 (0.45) ADAMTS4BCAT2ALDH1A1HSD17B10SLC1A3
SCHEMBL4651862 0.79 ADAMTS4 (1.00) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL1751961 0.79 ADAMTS4 (1.00) ADAMTS4MMP2MMP9MMP3MMP13

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 4 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
EP-0602028-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. PHARNO WEDROPHARM GMBH (DE) 1994-06-22 EP disclosed
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