SCHEMBL7776554

SCHEMBL7776554

O=NOCCc1ccc2c(c1CCC(=O)O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.70
TBXAS1 P24557 11/20 0.54
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL8120904 0.92 TBXA2R (0.61) TBXA2RTBXAS1HDAC8
SCHEMBL7771855 0.88 TBXA2R (0.68) TBXA2RTBXAS1HDAC8
SCHEMBL9247825 0.88 TBXA2R (0.78) TBXA2RTBXAS1HDAC8
SCHEMBL7463251 0.87 TBXA2R (0.72) TBXA2RTBXAS1HDAC8
SCHEMBL7771697 0.87 TBXA2R (0.78) TBXA2RTBXAS1HDAC8
SCHEMBL7776200 0.87 TBXA2R (0.76) TBXA2RTBXAS1HDAC8
SCHEMBL7779019 0.84 TBXA2R (0.69) TBXA2RTBXAS1HDAC8
Terutroban SCHEMBL29378918 0.83 TBXA2R (1.00) TBXA2RTBXAS1HDAC8
Terutroban SCHEMBL43629 0.83 TBXA2R (1.00) TBXA2RTBXAS1HDAC8
Terutroban SCHEMBL1896773 0.83 TBXA2R (1.00) TBXA2RTBXAS1HDAC8

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-0864561-B1 Benzenesulfonylamine derivatives,process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-09-05 EP disclosed
US-6013667-A Benzenesulfonylamine compounds, process for preparing them and pharmaceutical compositions ADIR ET COMPAGNIE (FR) 2000-01-11 US disclosed
EP-0864561-A1 Benzenesulfonylamine derivatives,process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-16 EP disclosed