SCHEMBL8912753

SCHEMBL8912753

CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.55
MMP2 P08253 6/20 0.55
MMP3 P08254 6/20 0.55
MMP7 P09237 6/20 0.55
MMP9 P14780 6/20 0.55
MMP13 P45452 6/20 0.55
CAPN1 P07384 1/20 0.52
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP12 P39900 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
SCHEMBL8916336 0.88 GAA (0.48) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8915074 0.88 MMP2 (0.50) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8912748 0.80 MMP2 (0.63) MMP1MMP2MMP3MMP7MMP9
SCHEMBL14943559 0.78 MMP2 (0.71) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8913859 0.77 CTSL (0.56) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8915393 0.75 ALDH1A1 (0.51) MMP1MMP2MMP9MMP13ADAMTS4
SCHEMBL8914340 0.75 CYP3A4 (0.47) SLC1A3SLC1A2SLC1A1CYP3A4MMP12
SCHEMBL3842066 0.75 MMP2 (0.91) MMP1MMP2MMP3MMP7MMP9
SCHEMBL2161562 0.75 MMP2 (0.91) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6797666 0.75 MMP2 (0.91) MMP1MMP2MMP3MMP7MMP9

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
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
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