SCHEMBL4548360

SCHEMBL4548360

CC(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@H]1CC(=O)O

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.90
PTGDR2 Q9Y5Y4 2/20 0.63
PTGDR Q13258 4/20 0.62
PDE2A O00408 1/20 0.62
PTGER1 P34995 2/20 0.57
PTGFR P43088 1/20 0.57
PTGER3 P43115 1/20 0.57
PTGER2 P43116 1/20 0.57

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
SCHEMBL13317737 1.00 TBXA2R (0.90) TBXA2RPTGDR2PTGDRPDE2APTGER1
SCHEMBL5840675 0.95 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5777761 0.89 TBXA2R (0.89) TBXA2RPTGDR2PTGDRPDE2APTGER1
SCHEMBL10312500 0.88 TBXA2R (0.90) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL13416145 0.88 TBXA2R (0.90) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL6729120 0.88 TBXA2R (0.86) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL6690976 0.87 TBXA2R (0.90) TBXA2RPTGDR2PTGDRPDE2APTGER1
SCHEMBL5835872 0.86 TBXA2R (0.84) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5776387 0.86 TBXA2R (0.83) TBXA2RPTGDR2PTGDRPTGER1PTGFR
SCHEMBL5773893 0.83 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A

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
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 TBXA2R 56/4885PTGDR2 676/4885PTGDR 432/4885

“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.