SCHEMBL8915074

SCHEMBL8915074

CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.50
MMP9 P14780 7/20 0.50
MMP3 P08254 5/20 0.50
MMP13 P45452 5/20 0.50
MMP1 P03956 5/20 0.50
MMP7 P09237 4/20 0.50
ADAMTS4 O75173 4/20 0.50
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MMP12 P39900 3/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MMP8 P22894 2/20 0.44
MMP14 P50281 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 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
SCHEMBL8912753 0.88 MMP1 (0.55) MMP2MMP9MMP3MMP13MMP1
SCHEMBL8915393 0.87 ALDH1A1 (0.51) MMP2MMP9MMP13MMP1ADAMTS4
SCHEMBL8915067 0.80 MMP2 (0.56) MMP2MMP9MMP3MMP13MMP1
SCHEMBL8914340 0.79 CYP3A4 (0.47) MMP12SLC1A3SLC1A2SLC1A1
SCHEMBL8915081 0.78 MMP2 (0.56) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7380443 0.77 MMP13 (0.77) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7380440 0.77 MMP13 (0.77) MMP2MMP9MMP3MMP13MMP1
SCHEMBL8913820 0.76 PRKD3 (0.53) MMP1
SCHEMBL8916336 0.75 GAA (0.48) MMP2MMP9MMP3MMP13MMP1
SCHEMBL21451101 0.75 MMP2 (0.82) MMP2MMP9MMP3MMP13MMP1

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