SCHEMBL7323855

SCHEMBL7323855

CCCCCCCCCCCCc1cc(C)c(N(C)S(=O)(=O)c2ccc(OC)cc2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.53
MMP9 P14780 7/20 0.53
MMP1 P03956 6/20 0.53
ADAM17 P78536 5/20 0.53
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
PLK1 P53350 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
CYP2C9 P11712 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CNR2 P34972 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP2 P08253 1/20 0.43
CA9 Q16790 1/20 0.43
KAT8 Q9H7Z6 2/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
MMP3 P08254 1/20 0.42

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
SCHEMBL7322134 0.89 MMP13 (0.68) MMP13MMP9MMP1ADAM17
SCHEMBL7324723 0.89 MMP13 (0.47) MMP13MMP9MMP1ADAM17CYP2C9
SCHEMBL7322108 0.83 MMP13 (0.55) MMP13MMP9MMP1ADAM17KEAP1
SCHEMBL7323692 0.82 MMP13 (0.64) MMP13MMP9MMP1ADAM17CYP2C9
SCHEMBL7322746 0.82 MMP13 (0.51) MMP13MMP9MMP1ADAM17CYP2C9
SCHEMBL7323850 0.81 PLK1 (0.46) MMP13MMP9MMP1ADAM17PPARG
SCHEMBL7323519 0.81 MMP9 (0.49) MMP13MMP9MMP1ADAM17CYP2C9
SCHEMBL7310943 0.80 MMP9 (0.45) MMP13MMP9MMP1ADAM17CYP2C9
SCHEMBL7506542 0.80 MMP9 (0.45) MMP13MMP9MMP1ADAM17CYP2C9
SCHEMBL7316731 0.79 MMP13 (0.60) MMP13MMP9MMP1ADAM17

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 5 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
CN-1240429-A Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID CO (US) 2000-01-05 CN 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