SCHEMBL10312497

SCHEMBL10312497

CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.91
TBXA2R P21731 19/20 0.91
PTGER1 P34995 2/20 0.65
PTGER3 P43115 2/20 0.65
PTGER2 P43116 2/20 0.65
PTGDR2 Q9Y5Y4 2/20 0.65
PTGER4 P35408 1/20 0.65
PTGFR P43088 1/20 0.65

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
SCHEMBL991162 0.95 TBXA2R (1.00) PTGDRTBXA2R
SCHEMBL14175288 0.93 TBXA2R (0.78) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL22722578 0.88 TBXA2R (0.90) PTGDRTBXA2R
SCHEMBL991127 0.85 TBXA2R (1.00) PTGDRTBXA2R
SCHEMBL1253026 0.85 PTGDR (1.00) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL990560 0.83 TBXA2R (0.84) PTGDRTBXA2R
SCHEMBL14449868 0.83 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL1042323 0.83 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL990454 0.82 TBXA2R (1.00) PTGDRTBXA2R
SCHEMBL3872881 0.82 PTGDR (1.00) PTGDRTBXA2R

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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions CHENG KANG 2010-03-25 US disclosed
US-20090233977-A1 Method of Treating Atherosclerosis, dyslipidemias and related conditions MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20080139604-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK SHARP & DOHME CORP. 2008-06-12 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 (4 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-20080139604-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions LDLR, HCAR1, FFAR1 PTGDR 201/4885TBXA2R 37/4885PTGER1 300/4885
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions LDLR, LPAR5, FFAR1 PTGDR 164/4885TBXA2R 44/4885PTGER1 129/4885
US-20090233977-A1 Method of Treating Atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 PTGDR 201/4885TBXA2R 37/4885PTGER1 300/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 PTGDR 390/4885TBXA2R 56/4885PTGER1 171/4885

“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.