SCHEMBL8916336

SCHEMBL8916336

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GFER P55789 1/20 0.46
MMP1 P03956 4/20 0.45
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
MMP13 P45452 4/20 0.45
MMP3 P08254 2/20 0.45
MMP7 P09237 2/20 0.45
MMP8 P22894 3/20 0.43
MMP14 P50281 3/20 0.43
MMP12 P39900 2/20 0.43
MAPT P10636 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SLC1A3 P43003 1/20 0.41

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) MMP1MMP2MMP9MMP13MMP3
SCHEMBL8915393 0.87 ALDH1A1 (0.51) ALDH1A1GFERMMP1MMP2MMP9
SCHEMBL8913859 0.81 CTSL (0.56) ALDH1A1MMP1MMP2MMP9MMP13
SCHEMBL8916333 0.79 ADAMTS4 (0.48) GAATDP1ALDH1A1GFERMMP1
SCHEMBL8915074 0.75 MMP2 (0.50) MMP1MMP2MMP9MMP13MMP3
SCHEMBL8914327 0.74 CYP3A4 (0.48) TDP1ALDH1A1MAPTHSD17B10TSHR
SCHEMBL7468791 0.73 ADAMTS4 (0.69) GAATDP1ALDH1A1GFERMMP1
SCHEMBL6806364 0.73 ADAMTS4 (0.69) GAATDP1ALDH1A1GFERMMP1
SCHEMBL7468779 0.73 ADAMTS4 (0.69) GAATDP1ALDH1A1GFERMMP1
SCHEMBL8912748 0.72 MMP2 (0.63) MMP1MMP2MMP9MMP13MMP3

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