SCHEMBL5424892

SCHEMBL5424892

CS(=O)(=O)c1cc(F)cc2c3c([nH]c12)[C@@H](CC(=O)O)CC3

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 16/20 0.52
TBXA2R P21731 11/20 0.52
PDE4A P27815 1/20 0.52
TSPO P30536 1/20 0.52
PTGER1 P34995 1/20 0.52
DRD3 P35462 1/20 0.52
PTGFR P43088 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
PTGIR P43119 1/20 0.52
PDE4D Q08499 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.52
PDE2A O00408 8/20 0.47

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
SCHEMBL1255659 0.94 PDE2A (0.55) PTGDRTBXA2RPTGER1PTGFRPTGER3
SCHEMBL1254584 0.94 PDE2A (0.55) PTGDRTBXA2RPTGER1PTGFRPTGER3
SCHEMBL13407090 0.86 PTGDR (0.39) PTGDRTBXA2RPDE4ATSPOPTGER1
SCHEMBL14562369 0.86 PTGDR (0.39) PTGDRTBXA2RPDE4ATSPOPTGER1
SCHEMBL11918206 0.82 PDE2A (0.44) PTGDRTBXA2RPTGER1PTGFRPTGER3
SCHEMBL5522526 0.82 PTGDR (0.38) PTGDRTBXA2RPDE4ATSPOPTGER1
SCHEMBL5420470 0.81 PTGDR (0.48) PTGDRTBXA2RPDE4ATSPOPTGER1
SCHEMBL4093843 0.81 PTGDR (0.48) PTGDRTBXA2RPDE4ATSPOPTGER1
SCHEMBL1255227 0.81 PDE2A (0.43) PTGDRTBXA2RPTGER1PTGFRPTGER3
SCHEMBL6820539 0.78 TBXA2R (0.53) PTGDRTBXA2RPTGER2

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
US-20070054951-A1 Fluoro-methanesulfonyl-substituted cycloalkanoindoles and their use as prostaglandin D2 antagonists MERCK FROSST CANADA & CO. (CA) 2007-03-08 US disclosed
EP-1631547-A1 FLUORO-METHANESULFONYL-SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2006-03-08 EP disclosed
WO-2004103970-A1 FLUORO-METHANESULFONYL-SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2004-12-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070054951-A1 Fluoro-methanesulfonyl-substituted cycloalkanoindoles and their use as prostaglandin D2 antagonists PTGDR2, PTGER2, PTGDR PTGDR 3/4885TBXA2R 18/4885PDE4A 925/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.