SCHEMBL7544831

SCHEMBL7544831

COc1ccc(S(=O)(=O)C(Nc2c(C)ccc(C)c2C(=O)O)c2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.45
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MMP1 P03956 3/20 0.41
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
NAMPT P43490 3/20 0.41
KDM4E B2RXH2 1/20 0.40
KCNA5 P22460 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP9 P14780 2/20 0.39

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
SCHEMBL7437875 0.90 MMP13 (0.44) TBXAS1MMP2MMP3PDE4APDE4B
SCHEMBL7453108 0.87 MMP1 (0.45) TBXAS1MMP2MMP3PDE4APDE4B
SCHEMBL7510775 0.84 MMP1 (0.47) TBXAS1MMP2MMP3PDE4APDE4B
SCHEMBL7511843 0.82 MMP1 (0.49) TBXAS1MMP2MMP3PDE4APDE4B
SCHEMBL6129929 0.82 MMP9 (0.54) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7442030 0.82 TBXAS1 (0.43) TBXAS1MMP2MMP3PDE4APDE4B
SCHEMBL7451379 0.82 MMP1 (0.45) TBXAS1MMP2MMP3PDE4APDE4B
SCHEMBL7323076 0.81 MMP1 (0.46) TBXAS1MMP2MMP3PDE4APDE4B
SCHEMBL7444896 0.79 MMP13 (0.55) TBXAS1MMP2MMP3PDE4APDE4B
SCHEMBL7575726 0.79 NAMPT (0.41) TBXAS1MMP1NAMPTKCNA5LMNA

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