SCHEMBL7849893

SCHEMBL7849893

CC(C)c1ccc(-c2ccc(S(=O)(=O)Nn3cccc3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.40
MMP9 P14780 5/20 0.40
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38
MMP1 P03956 6/20 0.37
ADAMTS5 Q9UNA0 4/20 0.37
MMP14 P50281 2/20 0.37
ADAM17 P78536 1/20 0.37
MMP13 P45452 10/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36

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
SCHEMBL6969557 0.83 EDNRB (0.45) MMP2MMP9MMP1ADAMTS5MMP14
SCHEMBL7849875 0.82 MMP13 (0.43) MMP2MMP9DRD2HTR2CDRD3
SCHEMBL6957992 0.80 MMP2 (0.36) MMP2MMP9DRD2HTR2CDRD3
SCHEMBL7850011 0.80 MMP13 (0.38) MMP2MMP9DRD2HTR2CDRD3
SCHEMBL7217754 0.74 MMP2 (0.39) MMP2MMP9DRD2HTR2CDRD3
SCHEMBL6958603 0.73 HTT (0.45)
SCHEMBL6968714 0.69 THRB (0.49)
SCHEMBL13522725 0.69 APP (0.54)
SCHEMBL3723990 0.67 APP (0.52)
SCHEMBL6954823 0.67 EDNRA (0.76) EDNRBEDNRA

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-1069114-A2 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-17 EP disclosed
EP-0699191-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 1998-12-16 EP disclosed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 US disclosed
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 WO disclosed