SCHEMBL7323580

SCHEMBL7323580

COc1ccc(S(=O)(=O)N(C)c2c(C)cc(C=CC(=O)N(C)C)cc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.53
MMP1 P03956 7/20 0.53
MMP9 P14780 7/20 0.53
ADAM17 P78536 6/20 0.53
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.45
PTGS2 P35354 1/20 0.44
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 1/20 0.42
POLB P06746 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.40
PGR P06401 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7509306 0.91 MMP9 (0.54) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7319849 0.91 MMP9 (0.54) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7316093 0.89 MMP13 (0.69) MMP13MMP1MMP9ADAM17
SCHEMBL7310943 0.85 MMP9 (0.45) MMP13MMP1MMP9ADAM17LMNA
SCHEMBL7506542 0.85 MMP9 (0.45) MMP13MMP1MMP9ADAM17LMNA
SCHEMBL27509927 0.83 MMP13 (0.51) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7553160 0.83 MMP13 (0.55) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7322413 0.83 MMP13 (0.55) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7504012 0.82 MMP1 (0.45) MMP13MMP1MMP9ADAM17PTGS2
SCHEMBL7323692 0.82 MMP13 (0.64) MMP13MMP1MMP9ADAM17CYP2C9

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
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 disclosed
EP-0938471-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 1999-09-01 EP disclosed
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed
WO-1998016503-A2 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 WO disclosed