SCHEMBL7323574

SCHEMBL7323574

COc1ccc(S(=O)(=O)CNc2c(C)cc(/C=C/C(=O)N(C)C)cc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPM8 Q7Z2W7 4/20 0.39
HTT P42858 2/20 0.38
THRB P10828 1/20 0.38
CYTH2 Q99418 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL7319845 0.92 PTGS2 (0.41) LMNAPTGS2ALDH1A1MAPTCYP1A2
SCHEMBL7820104 0.91 MMP13 (0.45) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7316088 0.91 MMP13 (0.45) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7322407 0.83 THRB (0.47) LMNAPTGS2ALDH1A1MAPTCYP1A2
SCHEMBL7323687 0.81 FFAR4 (0.53) POLBALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7323580 0.81 MMP13 (0.53) LMNAPTGS2POLBCYP2C9TRPM8
SCHEMBL7572045 0.80 PTGS2 (0.41) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7317936 0.80 LMNA (0.38) LMNAPTGS2POLBALDH1A1MAPT
SCHEMBL7820002 0.79 PTGS2 (0.41) PTGS2TRPM8MMP1MMP9MMP13
SCHEMBL7504007 0.78 TAS1R3 (0.40) PTGS2ALDH1A1MAPTHTTKMT2A

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 4 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
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