SCHEMBL12415748

SCHEMBL12415748

CN(C)c1nc(Cc2ccc(N[13C](=O)c3ccc(C(F)(F)F)cc3)cc2)n2ccnc2c1CC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.69
TBXA2R P21731 1/20 0.69
PTGDR Q13258 1/20 0.69
HIF1A Q16665 3/20 0.43
EPAS1 Q99814 3/20 0.43
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL12415759 1.00 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRHIF1AEPAS1
SCHEMBL12415757 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL12415738 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL12415742 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL12415746 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL12415741 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL12415739 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL12415745 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL12415740 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL12415736 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 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 (1 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-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH4 PTGDR2 87/4885TBXA2R 115/4885PTGDR 151/4885

“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.