SCHEMBL10312763

SCHEMBL10312763

CSc1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.74
PTGER1 P34995 2/20 0.74
PTGFR P43088 1/20 0.74
PTGER3 P43115 1/20 0.74
PTGER2 P43116 1/20 0.74
PTGDR2 Q9Y5Y4 1/20 0.74
PTGDR Q13258 1/20 0.49

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
SCHEMBL4548362 0.85 TBXA2R (1.00) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5774875 0.81 TBXA2R (0.75) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL3148394 0.79 TBXA2R (0.73) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5772139 0.79 TBXA2R (1.00) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5777816 0.76 TBXA2R (0.74) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL4548360 0.75 TBXA2R (0.90) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL13317737 0.75 TBXA2R (0.90) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL14621525 0.75 TBXA2R (0.81) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5777761 0.75 TBXA2R (0.89) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL13416145 0.74 TBXA2R (0.90) TBXA2RPTGDR2PTGDR

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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2011-02-03 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 (2 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-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 TBXA2R 35/4885PTGER1 85/4885PTGFR 494/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 TBXA2R 56/4885PTGER1 171/4885PTGFR 854/4885

“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.