SCHEMBL7709115

SCHEMBL7709115

CCCCc1nc(S(=O)(=O)c2ccccc2)c(OC(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.61
AGTR2 P50052 3/20 0.61
PPARG P37231 1/20 0.58

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
SCHEMBL7706160 0.92 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL7706141 0.87 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL7706065 0.84 AGTR1 (0.64) AGTR1AGTR2PPARG
SCHEMBL7429975 0.83 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL7709126 0.83 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL8823642 0.83 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL7706154 0.83 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL7706142 0.82 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL7706157 0.82 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL7706159 0.80 AGTR1 (0.68) AGTR1AGTR2

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-0644188-B1 Process for the preparation of sulfur derivatives of imidazole and intermediates obtained AVENTIS PHARMA SA (FR) 2002-12-04 EP claimed
EP-0648763-B1 Process for the preparation of sulfur derivatives of imidazole and intermediates obtained AVENTIS PHARMA SA (FR) 2001-05-09 EP claimed
EP-0465368-B1 Sulfur derivatives of imidazole, process for their preparation, intermediates, their use as medicaments, and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1998-05-20 EP claimed