SCHEMBL1255207

SCHEMBL1255207

CC(C(=O)O)[C@H]1CCCc2c1[nH]c1c(S(C)(=O)=O)cc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 18/20 0.42
TBXA2R P21731 13/20 0.42
PDE2A O00408 7/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGIR P43119 1/20 0.39

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
SCHEMBL1903294 0.87 PTGDR (0.41) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL1900707 0.87 PTGDR (0.41) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL6101117 0.82 PTGDR (0.35) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL4082546 0.80 BRD3 (0.39) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL1255659 0.80 PDE2A (0.55) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL1254584 0.80 PDE2A (0.55) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL11918206 0.78 PDE2A (0.44) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL5424892 0.75 PTGDR (0.52) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL1255227 0.74 PDE2A (0.43) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL14562369 0.72 PTGDR (0.39) PTGDRTBXA2RPDE2APTGER1PTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS CHENG KANG 2011-05-19 US disclosed
EP-2286816-A1 Method of treating atherosclerosis, dyslipidemias and related conditions MERCK SHARP & DOHME (I.A.) CORP. (US) 2011-02-23 EP disclosed
US-20090233977-A1 Method of Treating Atherosclerosis, dyslipidemias and related conditions MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20080139604-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
US-7019022-B2 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA & CO. (CA) 2006-03-28 US disclosed
US-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA LTD. (CA) 2005-07-14 US disclosed
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions CHENG KANG (US) 2004-11-18 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 (6 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 37/4885PDE2A 1108/4885
US-20090233977-A1 Method of Treating Atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 PTGDR 201/4885TBXA2R 37/4885PDE2A 1108/4885
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment FFAR1, HCAR1, GPR119 PTGDR 527/4885TBXA2R 68/4885PDE2A 1281/4885
US-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives PTGIR, PTGDR, PTGDR2 PTGDR 2/4885TBXA2R 10/4885PDE2A 1080/4885
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS LDLR, HCAR1, FFAR1 PTGDR 201/4885TBXA2R 37/4885PDE2A 1108/4885
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 PTGDR 201/4885TBXA2R 37/4885PDE2A 1108/4885

“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.