SCHEMBL6820539

SCHEMBL6820539

CS(=O)(=O)c1cc(Br)c2[nH]c3c(c2c1)CCC3CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.53
PTGDR Q13258 18/20 0.53
PTGER2 P43116 2/20 0.42
S1PR1 P21453 2/20 0.38

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
SCHEMBL6820536 0.88 TBXA2R (0.42) TBXA2RPTGDRPTGER2S1PR1
SCHEMBL12923708 0.86 TBXA2R (0.41) TBXA2RPTGDRPTGER2
SCHEMBL5420470 0.81 PTGDR (0.48) TBXA2RPTGDRPTGER2S1PR1
SCHEMBL4093843 0.81 PTGDR (0.48) TBXA2RPTGDRPTGER2S1PR1
SCHEMBL6817650 0.80 S1PR1 (0.52) TBXA2RPTGDRS1PR1
SCHEMBL5424892 0.78 PTGDR (0.52) TBXA2RPTGDRPTGER2
SCHEMBL5526809 0.75 S1PR1 (0.40) S1PR1
SCHEMBL5522526 0.75 PTGDR (0.38) TBXA2RPTGDRPTGER2S1PR1
SCHEMBL1255235 0.75 PDE2A (0.50) TBXA2RPTGDRPTGER2S1PR1
SCHEMBL1255659 0.72 PDE2A (0.55) TBXA2RPTGDRPTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305286-B1 CYCLOPENTANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA INC (CA) 2004-12-08 EP disclosed
EP-1305286-A2 CYCLOPENTANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA INC. (CA) 2003-05-02 EP disclosed
US-6410583-B1 PROSTAGLANDIN ANTAGONIST MERCK FROSST CANADA & CO. (CA) 2002-06-25 US disclosed
WO-2002008186-A2 CYCLOPENTANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 2002-01-31 WO disclosed