SCHEMBL7324075

SCHEMBL7324075

COC(=O)c1cc(CCC(=O)O)cc(C)c1N(C)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.56
MMP1 P03956 8/20 0.56
MMP9 P14780 8/20 0.56
ADAM17 P78536 6/20 0.56
CYP2C9 P11712 1/20 0.52
LMNA P02545 3/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
MEP1B Q16820 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7314362 0.87 MMP13 (0.52) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7317778 0.84 MMP13 (0.66) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7323519 0.83 MMP9 (0.49) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL6810778 0.80 MMP9 (0.81) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7324074 0.79 HTT (0.48) MMP13MMP1CYP2C9LMNAKEAP1
SCHEMBL7323855 0.78 MMP13 (0.53) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7553160 0.78 MMP13 (0.55) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7322413 0.78 MMP13 (0.55) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7311624 0.78 CYP2C9 (0.60) MMP13MMP1MMP9ADAM17CYP2C9
SCHEMBL7322108 0.78 MMP13 (0.55) MMP13MMP1MMP9ADAM17LMNA

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