SCHEMBL2926752

SCHEMBL2926752

CS(=O)(=O)c1cncc2cc3n(c12)C(CC(=O)O)CC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
PTGDR Q13258 13/20 0.32
TBXA2R P21731 9/20 0.32
PDE2A O00408 7/20 0.32
PDE4A P27815 1/20 0.32
TSPO P30536 1/20 0.32
PTGER1 P34995 1/20 0.32
DRD3 P35462 1/20 0.32
PTGFR P43088 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
PTGIR P43119 1/20 0.32
PDE4D Q08499 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL5774572 0.83 PTGDR (0.44) PTGDRTBXA2RPDE2APDE4ATSPO
SCHEMBL5775908 0.83 PTGDR (0.44) PTGDRTBXA2RPDE2APDE4ATSPO
SCHEMBL5778075 0.83 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2922358 0.81 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1254302 0.79
SCHEMBL5777134 0.78 FFAR4 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5776227 0.77 PDE2A (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5772697 0.73 TBXA2R (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28527343 0.69 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5776905 0.68 PTGDR (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116244-B1 Method of treating atherosclerosis, dyslipidemias and related conditions SCHERING CORP (US) 2012-08-08 EP disclosed
EP-1558614-B1 PYRIDOPYRROLIZINE AND PYRIDOINDOLIZINE DERIVATIVES MERCK FROSST CANADA LTD (CA) 2010-09-01 EP disclosed
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions CHENG KANG 2010-03-25 US disclosed
US-7618979-B2 Pyridopyrrolizine and pyridoindolizine derivatives MERCK FROSST CANADA LTD. (CA) 2009-11-17 US disclosed
EP-2116244-A1 Method of treating atherosclerosis, dyslipidemias and related conditions Merck & Co., Inc. (US) 2009-11-11 EP disclosed
US-20070299122-A1 Method of Treating Pathological Blushing MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 US disclosed
WO-2006052798-A2 METHOD OF TREATING PATHOLOGICAL BLUSHING MERCK & CO., INC. (US) 2006-05-18 WO disclosed
US-20050272756-A1 Pyridopyrrolizine and pyridoindolizine derivatives MERCK CANADA INC. (CA) 2005-12-08 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-20050272756-A1 Pyridopyrrolizine and pyridoindolizine derivatives PTGIR, PTGIS, PTGES GRIN2D 2167/4885GRIN3B 3171/4885GRIN1 2510/4885
US-20070299122-A1 Method of Treating Pathological Blushing BDKRB2, BDKRB1, PTGIR GRIN2D 1985/4885GRIN3B 597/4885GRIN1 1262/4885
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 GRIN2D 1997/4885GRIN3B 1143/4885GRIN1 1078/4885
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions LDLR, LPAR5, FFAR1 GRIN2D 1858/4885GRIN3B 862/4885GRIN1 601/4885
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 GRIN2D 2451/4885GRIN3B 1163/4885GRIN1 1142/4885
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions LDLR, LIPA, APOB GRIN2D 3388/4885GRIN3B 1744/4885GRIN1 1387/4885

“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.