SCHEMBL7317852

SCHEMBL7317852

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(C(=O)NO)cc(C)cc2-c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.44
MMP9 P14780 14/20 0.44
MMP1 P03956 12/20 0.44
ADAM17 P78536 7/20 0.44
MMP2 P08253 6/20 0.39
MMP8 P22894 6/20 0.39
MMP12 P39900 6/20 0.39
MMP14 P50281 6/20 0.39
MMP16 P51512 6/20 0.39
MAPT P10636 2/20 0.38
MMP3 P08254 5/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7317075 0.93 MAPT (0.40) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7319818 0.93 MAPT (0.39) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7321745 0.86 MMP13 (0.49) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7324220 0.85 MMP13 (0.46) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7323602 0.85 MMP13 (0.53) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7310011 0.81 MMP13 (0.51) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7322248 0.80 MMP13 (0.43) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7319588 0.80 MAPT (0.39) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7321871 0.80 MAPT (0.37) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7318787 0.80 MMP13 (0.48) MMP13MMP9MMP1ADAM17MMP2

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-0938471-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2001-12-12 EP claimed
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed