SCHEMBL4278822

SCHEMBL4278822

CS(=O)(=O)c1ccc(F)cc1.CS(=O)(=O)c1ccc(S)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.58
PTGS1 P23219 6/20 0.55

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
SCHEMBL444872 0.89 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL487226 0.89 ENPP2 (0.56) PTGS2
Water SCHEMBL27918427 0.86 PTGS2 (0.67) PTGS2PTGS1
Water SCHEMBL22687010 0.86 ENPP2 (0.54) PTGS2
Water SCHEMBL28883186 0.86 ENPP2 (0.54) PTGS2
SCHEMBL6470141 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7395459 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL10058341 0.82 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7938593 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL9187794 0.82 HSD11B1 (0.47)

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-2025670-A1 3-(Phenyl or quinolyl)thio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity AstraZeneca AB (SE) 2009-02-18 EP disclosed
EP-1656346-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES AstraZeneca AB (SE) 2006-05-17 EP disclosed
WO-2004106302-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES ASTRAZENECA AB (SE) 2004-12-09 WO disclosed