SCHEMBL7380366

SCHEMBL7380366

COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(SCc3ccc(F)cc3F)c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.52
MMP2 P08253 9/20 0.52
MMP3 P08254 7/20 0.52
MMP9 P14780 6/20 0.52
MMP1 P03956 6/20 0.52
MMP7 P09237 3/20 0.52
MMP8 P22894 2/20 0.52
ADAMTS4 O75173 10/20 0.48
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MMP14 P50281 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
SCHEMBL6736974 1.00 MMP13 (0.52) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6739709 0.88 ADAMTS4 (0.56) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6738036 0.84 MMP2 (0.60) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6741519 0.84 MMP2 (0.60) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6732456 0.82 MMP13 (0.63) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6738197 0.82 MMP13 (0.63) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6741407 0.81 MMP13 (0.56) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6742257 0.81 MMP13 (0.58) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6742759 0.80 ADAMTS4 (0.61) MMP13MMP2MMP3MMP9MMP1
SCHEMBL6769488 0.80 ADAMTS4 (0.61) MMP13MMP2MMP3MMP9MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224171-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-07-24 EP claimed
WO-2001027084-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO claimed