SCHEMBL6151093

SCHEMBL6151093

Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3c(cc2C#N)OCO3)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 1.00
EDNRA P25101 20/20 1.00
ABCC3 O15438 1/20 0.80
ABCC4 O15439 1/20 0.80
ABCB11 O95342 1/20 0.80
PDE4A P27815 1/20 0.80

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
Sitaxentan SCHEMBL29372653 0.89 EDNRA (1.00) EDNRBEDNRAABCC3ABCC4ABCB11
SCHEMBL4631924 0.89 EDNRA (0.87) EDNRBEDNRAABCC3ABCC4ABCB11
Sitaxentan SCHEMBL803344 0.89 EDNRA (1.00) EDNRBEDNRAABCC3ABCC4ABCB11
SCHEMBL27467134 0.89 EDNRA (0.80) EDNRBEDNRAABCC3ABCC4ABCB11
SCHEMBL4631438 0.88 EDNRA (0.79) EDNRBEDNRAABCC3ABCC4ABCB11
Sitaxentan SCHEMBL4142779 0.88 EDNRA (0.98) EDNRBEDNRAABCC3ABCC4ABCB11
SCHEMBL4632107 0.88 EDNRA (0.84) EDNRBEDNRAABCC3ABCC4ABCB11
SCHEMBL27483184 0.88 EDNRA (0.78) EDNRBEDNRAABCC3ABCC4ABCB11
SCHEMBL4632337 0.87 EDNRA (0.83) EDNRBEDNRAABCC3ABCC4ABCB11
SCHEMBL4631478 0.86 EDNRB (0.81) EDNRBEDNRAABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP disclosed
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed