SCHEMBL7572045

SCHEMBL7572045

CCCCCCCCN(C)C(=O)/C=C/c1cc(C)c(NCS(=O)(=O)c2ccc(OC)cc2)c(C(=O)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
MMP9 P14780 3/20 0.38
MMP13 P45452 3/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.35
P4HB P07237 1/20 0.35
PTGS1 P23219 1/20 0.35
APP P05067 1/20 0.35
CYP2C9 P11712 2/20 0.35
ADAM17 P78536 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7820002 0.92 PTGS2 (0.41) PTGS2MMP9MMP13MMP1MMP3
SCHEMBL7319845 0.87 PTGS2 (0.41) PTGS2MMP9MMP13MMP1TRPM8
SCHEMBL7317053 0.84 MMP9 (0.46) PTGS2MMP9MMP13MMP1MMP3
SCHEMBL7576696 0.83 BCHE (0.43) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7322407 0.82 THRB (0.47) PTGS2MEN1KMT2AALDH1A1CYP2C9
SCHEMBL7323574 0.80 LMNA (0.43) PTGS2MMP9MMP13MMP1TRPM8
SCHEMBL7310943 0.80 MMP9 (0.45) PTGS2MMP9MMP13MMP1TRPM8
SCHEMBL7506542 0.80 MMP9 (0.45) PTGS2MMP9MMP13MMP1TRPM8
SCHEMBL7819741 0.79 MEN1 (0.39) PTGS2MMP9MMP13MMP1MEN1
SCHEMBL7820104 0.78 MMP13 (0.45) PTGS2MMP9MMP13MMP1ALDH1A1

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 3 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
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