SCHEMBL7323692

SCHEMBL7323692

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.64
MMP1 P03956 12/20 0.64
MMP9 P14780 12/20 0.64
ADAM17 P78536 10/20 0.64
CYP2C9 P11712 1/20 0.52
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
POLB P06746 1/20 0.48
PGR P06401 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL7317778 0.89 MMP13 (0.66) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7318221 0.88 MMP13 (0.83) MMP13MMP1MMP9ADAM17
SCHEMBL7317725 0.84 MMP13 (0.62) MMP13MMP1MMP9ADAM17KEAP1
SCHEMBL27511381 0.83 MMP9 (0.69) MMP13MMP1MMP9ADAM17PGR
SCHEMBL7323855 0.82 MMP13 (0.53) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7504634 0.82 MMP13 (0.60) MMP13MMP1MMP9ADAM17KEAP1
SCHEMBL7323580 0.82 MMP13 (0.53) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7322108 0.81 MMP13 (0.55) MMP13MMP1MMP9ADAM17KEAP1
SCHEMBL27511019 0.81 KEAP1 (0.57) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7322655 0.80 MMP13 (0.83) MMP13MMP1MMP9ADAM17

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