SCHEMBL7346255

SCHEMBL7346255

COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CC(C)C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.61
NFE2L2 Q16236 1/20 0.61
BMP1 P13497 3/20 0.60
TAS2R14 Q9NYV8 3/20 0.60
MMP9 P14780 5/20 0.59
MMP2 P08253 4/20 0.59
PTGES O14684 1/20 0.55
TAS2R8 Q9NYW2 1/20 0.55
CXCR3 P49682 1/20 0.55
MMP8 P22894 2/20 0.54
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MMP13 P45452 1/20 0.51

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
SCHEMBL7346251 1.00 KEAP1 (0.61) KEAP1NFE2L2BMP1TAS2R14MMP9
SCHEMBL4797698 0.91 TAS2R14 (0.58) KEAP1NFE2L2BMP1TAS2R14MMP9
SCHEMBL22252350 0.91 KEAP1 (0.74) KEAP1NFE2L2BMP1TAS2R14MMP9
SCHEMBL6414515 0.89 BMP1 (0.61) BMP1TAS2R14MMP9MMP2MMP8
SCHEMBL2680842 0.89 BMP1 (0.61) BMP1TAS2R14MMP9MMP2MMP8
SCHEMBL25297916 0.88 MMP9 (0.77) KEAP1NFE2L2BMP1MMP9MMP2
SCHEMBL25253016 0.88 MMP9 (0.77) KEAP1NFE2L2BMP1MMP9MMP2
SCHEMBL29521729 0.88 MMP9 (0.77) KEAP1NFE2L2BMP1MMP9MMP2
SCHEMBL7345045 0.87 TAS2R14 (0.54) KEAP1NFE2L2BMP1TAS2R14MMP9
SCHEMBL7345042 0.87 TAS2R14 (0.54) KEAP1NFE2L2BMP1TAS2R14MMP9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606046-B1 Arylsulfonamido-substituted hydroxamic acids CIBA GEIGY AG (CH) 1997-10-08 EP disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5552419-A METALLOPROTEINASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5506242-A METALLOELASTASE INHIBITOR; TREATS EMPHYSEMA CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
US-5455258-A Useful as inhibitors of matrix-degrading metalloproteinase enzymes such as stromelysin and/or collegenase CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
EP-0606046-A1 Arylsulfonamido-substituted hydroxamic acids CIBA-GEIGY AG (CH) 1994-07-13 EP disclosed