SCHEMBL137601

SCHEMBL137601

CCN(Cc1cc(C)ccc1-c1cc(CC(=O)O)cc(C(F)(F)F)c1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.46
PTGDR2 Q9Y5Y4 12/20 0.46
TBXA2R P21731 3/20 0.46
PTGDR Q13258 3/20 0.46
RXRA P19793 4/20 0.44
RXRB P28702 4/20 0.44
RXRG P48443 4/20 0.44
CETP P11597 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
PTGIR P43119 2/20 0.42

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
SCHEMBL151836 0.92 PTGDR2 (0.54) GPBAR1PTGDR2TBXA2RPTGDRRXRA
SCHEMBL135928 0.89 PTGDR2 (0.46) GPBAR1PTGDR2TBXA2RPTGDRRXRA
SCHEMBL136518 0.89 CETP (0.47) GPBAR1PTGDR2TBXA2RPTGDRCETP
SCHEMBL138036 0.89 CETP (0.44) GPBAR1PTGDR2TBXA2RPTGDRCETP
SCHEMBL135228 0.89 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL137658 0.88 GPBAR1 (0.50) GPBAR1PTGDR2TBXA2RPTGDRRXRA
SCHEMBL135187 0.87 PTGDR2 (0.59) PTGDR2
SCHEMBL138068 0.85 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137614 0.85 PTGDR2 (0.61) GPBAR1PTGDR2TBXA2RPTGDRRXRA
SCHEMBL137576 0.84 PTGDR2 (0.40) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9

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 GPBAR1 45/4885PTGDR2 2/4885TBXA2R 12/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GPBAR1 45/4885PTGDR2 2/4885TBXA2R 12/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GPBAR1 45/4885PTGDR2 2/4885TBXA2R 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.