SCHEMBL137149

SCHEMBL137149

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CN(CCc2ccccc2)S(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.50
ALDH1A1 P00352 4/20 0.49
TBXA2R P21731 1/20 0.44
PTGDR Q13258 1/20 0.44
GAA P10253 1/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL137575 0.93 PTGDR2 (0.56) PTGDR2ALDH1A1TBXA2RPTGDRGAA
SCHEMBL152474 0.88 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR
SCHEMBL137272 0.85 PTGDR2 (0.58) PTGDR2ALDH1A1TBXA2RPTGDRGAA
SCHEMBL136868 0.85 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL150731 0.80 PTGDR2 (0.74) PTGDR2TBXA2RPTGDR
SCHEMBL137470 0.80 PTGDR2 (0.66) PTGDR2TBXA2RPTGDR
SCHEMBL135805 0.80 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL134667 0.80 PTGDR2 (0.66) PTGDR2ALDH1A1TBXA2RPTGDRJAK2
SCHEMBL134660 0.79 PTGDR2 (0.54) PTGDR2ALDH1A1TBXA2RPTGDRJAK2
SCHEMBL137330 0.79 PTGDR2 (0.54) PTGDR2TBXA2RPTGDR

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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ALDH1A1 2005/4885TBXA2R 12/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ALDH1A1 2005/4885TBXA2R 12/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ALDH1A1 2005/4885TBXA2R 12/4885

“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.