SCHEMBL7322996

SCHEMBL7322996

COC(=O)c1cccc(C(=O)O)c1N(C)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.54
MMP13 P45452 9/20 0.54
MMP1 P03956 8/20 0.54
ADAM17 P78536 8/20 0.54
CYP2C9 P11712 1/20 0.54
KDM4E B2RXH2 2/20 0.53
KEAP1 Q14145 1/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GFER P55789 1/20 0.49
PGR P06401 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL27511019 0.94 KEAP1 (0.57) MMP9MMP13MMP1ADAM17CYP2C9
SCHEMBL7324037 0.88 MMP9 (0.70) MMP9MMP13MMP1ADAM17
SCHEMBL7311624 0.88 CYP2C9 (0.60) MMP9MMP13MMP1ADAM17CYP2C9
SCHEMBL7323912 0.84 MMP9 (0.65) MMP9MMP13MMP1ADAM17CYP2C9
SCHEMBL7315173 0.84 MMP9 (0.62) MMP9MMP13MMP1ADAM17CYP2C9
SCHEMBL7311421 0.82 MMP1 (0.81) MMP9MMP13MMP1ADAM17CYP2C9
SCHEMBL7316361 0.80 MMP9 (0.79) MMP9MMP13MMP1ADAM17KEAP1
SCHEMBL166441 0.80 KMT2A (0.61) KDM4ELMNAGAANPSR1HSD17B10
SCHEMBL27511381 0.80 MMP9 (0.69) MMP9MMP13MMP1ADAM17PGR
SCHEMBL7317778 0.78 MMP13 (0.66) MMP9MMP13MMP1ADAM17CYP2C9

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 2 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
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed