SCHEMBL7316092

SCHEMBL7316092

COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.68
CYP2C19 P33261 1/20 0.68
FFAR4 Q5NUL3 2/20 0.65
ACLY P53396 2/20 0.64
MCL1 Q07820 2/20 0.60
POLB P06746 1/20 0.58
CYP1A2 P05177 1/20 0.58
METAP2 P50579 3/20 0.58
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
RCE1 Q9Y256 1/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA3 P34903 1/20 0.55

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
SCHEMBL23200290 0.92 CYP2C9 (0.76) CYP2C9CYP2C19FFAR4ACLYMCL1
SCHEMBL7322109 0.90 METAP2 (0.73) CYP2C9CYP2C19FFAR4POLBCYP1A2
SCHEMBL12201452 0.89 ACLY (0.74) CYP2C9CYP2C19ACLYMCL1POLB
SCHEMBL12200959 0.86 CYP2C9 (0.61) CYP2C9CYP2C19FFAR4ACLYMCL1
SCHEMBL12200967 0.84 CYP2C9 (0.76) CYP2C9CYP2C19FFAR4MCL1POLB
SCHEMBL12768020 0.83 FFAR4 (0.81) FFAR4ALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL25140563 0.83 AKR1C3 (0.64) CYP2C9CYP2C19ACLYPOLBMETAP2
SCHEMBL5955445 0.83 CYP2C9 (0.84) CYP2C9CYP2C19FFAR4POLBCYP1A2
SCHEMBL30486834 0.82 LMNA (0.70) POLBALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL2477690 0.82 LMNA (0.70) POLBALDH1A1KDM4EKEAP1NFE2L2

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