SCHEMBL4458417

SCHEMBL4458417

CS(=O)(=O)c1cc(F)cc2c3c(n(CCc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 13/20 0.86
PDE2A O00408 10/20 0.86
TBXA2R P21731 9/20 0.86
PDE4A P27815 1/20 0.77
TSPO P30536 1/20 0.77
PTGER1 P34995 1/20 0.77
DRD3 P35462 1/20 0.77
PTGFR P43088 1/20 0.77
PTGER3 P43115 1/20 0.77
PTGER2 P43116 1/20 0.77
PTGIR P43119 1/20 0.77
PDE4D Q08499 1/20 0.77
PTGDR2 Q9Y5Y4 1/20 0.77
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
MAPK1 P28482 1/20 0.63

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
SCHEMBL991121 0.92 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL4548354 0.92 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL6470520 0.91 PTGDR (0.74) PTGDRPDE2ATBXA2RPDE4ATSPO
Laropiprant SCHEMBL991107 0.87 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
Laropiprant SCHEMBL29612617 0.87 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
Diastereomer 2 SCHEMBL1044552 0.87 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
Diastereomer 2 SCHEMBL32668949 0.87 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL14472807 0.85 PTGDR (0.85) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL4456631 0.84 PTGDR (0.61) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL5429663 0.82 PTGDR (1.00) PTGDRPDE2ATBXA2RPTGER1PTGFR

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-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

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-20080139604-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions LDLR, HCAR1, FFAR1 PTGDR 201/4885PDE2A 1108/4885TBXA2R 37/4885
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment FFAR1, HCAR1, GPR119 PTGDR 527/4885PDE2A 1281/4885TBXA2R 68/4885

“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.