SCHEMBL5775019

SCHEMBL5775019

CS(=O)(=O)c1ccc(Sc2c3n(c4cc(F)cc(S(C)(=O)=O)c24)CC[C@@H]3CC(=O)O)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.85
PDE2A O00408 3/20 0.82
PTGDR Q13258 3/20 0.82

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
SCHEMBL5800203 0.92 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL5777289 0.92 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL5774002 0.91 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL5797320 0.91 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL6690976 0.87 TBXA2R (0.90) TBXA2RPDE2APTGDR
SCHEMBL5812466 0.86 TBXA2R (0.82) TBXA2RPDE2APTGDR
SCHEMBL5836363 0.84 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL5774518 0.81 TBXA2R (0.81) TBXA2RPDE2APTGDR
SCHEMBL5835872 0.81 TBXA2R (0.84) TBXA2RPDE2APTGDR
SCHEMBL5776492 0.80 TBXA2R (0.79) TBXA2RPDE2APTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed