SCHEMBL8916333

SCHEMBL8916333

C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O.NC(=O)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.48
MMP13 P45452 6/20 0.47
MMP1 P03956 5/20 0.47
MMP2 P08253 5/20 0.47
MMP9 P14780 5/20 0.47
MMP3 P08254 3/20 0.47
MMP7 P09237 3/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.40
MMP8 P22894 3/20 0.39
MMP14 P50281 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CAPN1 P07384 1/20 0.39
GFER P55789 1/20 0.39
MMP12 P39900 3/20 0.38

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
SCHEMBL8915384 0.90 ADAMTS4 (0.54) ADAMTS4MMP13MMP1MMP2MMP9
SCHEMBL8912748 0.89 MMP2 (0.63) ADAMTS4MMP13MMP1MMP2MMP9
SCHEMBL7468779 0.81 ADAMTS4 (0.69) ADAMTS4MMP13MMP1MMP2MMP9
SCHEMBL7468791 0.81 ADAMTS4 (0.69) ADAMTS4MMP13MMP1MMP2MMP9
SCHEMBL6806364 0.81 ADAMTS4 (0.69) ADAMTS4MMP13MMP1MMP2MMP9
SCHEMBL8913854 0.81 MMP2 (0.57) ADAMTS4MMP13MMP1MMP2MMP9
SCHEMBL8916336 0.79 GAA (0.48) ADAMTS4MMP13MMP1MMP2MMP9
SCHEMBL8915067 0.78 MMP2 (0.56) ADAMTS4MMP13MMP1MMP2MMP9
SCHEMBL8914317 0.75 CYP3A4 (0.46) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL8912753 0.72 MMP1 (0.55) ADAMTS4MMP13MMP1MMP2MMP9

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