SCHEMBL4797698

SCHEMBL4797698

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.58
KEAP1 Q14145 3/20 0.56
NFE2L2 Q16236 1/20 0.56
BMP1 P13497 3/20 0.55
PTGES O14684 1/20 0.53
TAS2R8 Q9NYW2 1/20 0.53
CXCR3 P49682 1/20 0.53
MMP9 P14780 4/20 0.52
MMP2 P08253 3/20 0.52
LMNA P02545 2/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP8 P22894 1/20 0.50
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.48

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 0.91 KEAP1 (0.61) TAS2R14KEAP1NFE2L2BMP1PTGES
SCHEMBL7346255 0.91 KEAP1 (0.61) TAS2R14KEAP1NFE2L2BMP1PTGES
SCHEMBL1873282 0.89 BMP1 (0.56) TAS2R14KEAP1NFE2L2BMP1MMP9
SCHEMBL6414515 0.87 BMP1 (0.61) TAS2R14BMP1MMP9MMP2MMP8
SCHEMBL2680842 0.87 BMP1 (0.61) TAS2R14BMP1MMP9MMP2MMP8
SCHEMBL7345045 0.85 TAS2R14 (0.54) TAS2R14KEAP1NFE2L2BMP1PTGES
SCHEMBL7345042 0.85 TAS2R14 (0.54) TAS2R14KEAP1NFE2L2BMP1PTGES
SCHEMBL8843343 0.84 TAS2R14 (0.57) TAS2R14KEAP1NFE2L2BMP1PTGES
SCHEMBL6324459 0.82 TAS2R14 (0.57) TAS2R14KEAP1NFE2L2BMP1PTGES
SCHEMBL22252350 0.82 KEAP1 (0.74) TAS2R14KEAP1NFE2L2BMP1MMP9

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-1986657-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR Discogen, LLC (US) 2008-11-05 EP disclosed
WO-2007098099-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR DISCOGEN, LLC (US) 2007-08-30 WO disclosed
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed