SCHEMBL135769

SCHEMBL135769

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNCC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.51
CETP P11597 3/20 0.44
TBXA2R P21731 3/20 0.43
PTGDR Q13258 3/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
PDK2 Q15119 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTGIR P43119 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL137654 0.93 PTGDR2 (0.49) PTGDR2CETPTBXA2RPTGDRABL1
SCHEMBL136041 0.92 PTGDR2 (0.60) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL136785 0.91 PTGDR2 (0.47) PTGDR2CETPTBXA2RPTGDRABL1
SCHEMBL140513 0.89 PTGDR2 (0.65) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL137267 0.88 PDK2 (0.41) PTGDR2CETPTBXA2RPTGDRABL1
SCHEMBL134609 0.87 PTGDR2 (0.47) PTGDR2CETPTBXA2RPTGDRABL1
SCHEMBL135788 0.85 PTGDR2 (0.50) PTGDR2CETPABL1RIN1JAK2
SCHEMBL136777 0.85 HTR7 (0.47) PTGDR2CETPTBXA2RPTGDRABL1
SCHEMBL134660 0.84 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRABL1RIN1
SCHEMBL136913 0.84 PTGDR2 (0.45) PTGDR2CETPTBXA2RPTGDRABL1

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 2/4885CETP 3676/4885TBXA2R 12/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CETP 3676/4885TBXA2R 12/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CETP 3676/4885TBXA2R 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.