SCHEMBL4797683

SCHEMBL4797683

COc1ccc(S(=O)(=O)N(Cc2ccccc2)NC(=O)CCC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.55
TAS2R14 Q9NYV8 5/20 0.52
CXCR3 P49682 2/20 0.52
PTGES O14684 1/20 0.52
TAS2R8 Q9NYW2 1/20 0.52
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP3 P08254 1/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL8843349 0.88 BMP1 (0.58) BMP1TAS2R14CXCR3PTGESTAS2R8
SCHEMBL7089288 0.84 BMP1 (0.56) BMP1TAS2R14CXCR3PTGESTAS2R8
SCHEMBL7087595 0.80 BMP1 (0.53) BMP1TAS2R14CXCR3PTGESTAS2R8
Hydrochloric Acid SCHEMBL6379953 0.76 MMP9 (0.57) CXCR3ALDH1A1MMP2MMP13
SCHEMBL8340855 0.76 CXCR3 (0.49) BMP1TAS2R14CXCR3PTGESTAS2R8
SCHEMBL9287153 0.75 RORC (0.68) BMP1TAS2R14CXCR3PTGESTAS2R8
SCHEMBL7341410 0.74 KEAP1 (0.67) BMP1TAS2R14CXCR3PTGESTAS2R8
SCHEMBL7341408 0.74 KEAP1 (0.67) BMP1TAS2R14CXCR3PTGESTAS2R8
SCHEMBL6324161 0.73 TAS2R14 (0.66) BMP1TAS2R14CXCR3PTGESTAS2R8
SCHEMBL7348080 0.73 KEAP1 (0.81) BMP1TAS2R14CXCR3PTGESTAS2R8

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