SCHEMBL7315684

SCHEMBL7315684

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.57
MMP13 P45452 16/20 0.57
ADAM17 P78536 16/20 0.57
MMP1 P03956 15/20 0.57
KEAP1 Q14145 3/20 0.50
NFE2L2 Q16236 1/20 0.50
BMP1 P13497 1/20 0.48

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
SCHEMBL27511381 0.87 MMP9 (0.69) MMP9MMP13ADAM17MMP1
SCHEMBL7311189 0.85 MMP9 (0.57) MMP9MMP13ADAM17MMP1KEAP1
SCHEMBL7322623 0.85 MMP9 (0.57) MMP9MMP13ADAM17MMP1
SCHEMBL7504611 0.85 MMP9 (0.55) MMP9MMP13ADAM17MMP1KEAP1
SCHEMBL7323912 0.81 MMP9 (0.65) MMP9MMP13ADAM17MMP1
SCHEMBL7315675 0.78 BMP1 (0.41) MMP9MMP13ADAM17MMP1KEAP1
SCHEMBL27585027 0.78 ADAM17 (0.67) MMP9MMP13ADAM17MMP1
SCHEMBL27565287 0.77 MMP9 (0.46) MMP9MMP13ADAM17MMP1
SCHEMBL27585028 0.76 MMP9 (0.45) MMP9MMP13ADAM17MMP1
SCHEMBL7317819 0.76 MMP9 (0.58) MMP9MMP13ADAM17MMP1

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