SCHEMBL4797688

SCHEMBL4797688

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 12/20 0.59
CXCR3 P49682 2/20 0.59
PTGES O14684 1/20 0.59
TAS2R8 Q9NYW2 1/20 0.59
BMP1 P13497 1/20 0.57
BACE1 P56817 2/20 0.55
RORC P51449 1/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
KEAP1 Q14145 1/20 0.50

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
SCHEMBL6321716 0.87 TAS2R14 (0.61) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL6323899 0.84 TAS2R14 (0.58) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL6324161 0.82 TAS2R14 (0.66) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL9287153 0.81 RORC (0.68) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL6323932 0.79 TAS2R14 (0.62) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL28729777 0.79 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL7343981 0.77 BMP1 (0.77) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL5092519 0.77 KEAP1 (0.81) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL1615406 0.75 TAS2R14 (0.74) TAS2R14CXCR3PTGESTAS2R8BMP1
SCHEMBL1169926 0.75 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8

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