SCHEMBL137255

SCHEMBL137255

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CN(CC(N)=O)C(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.45
PTGDR2 Q9Y5Y4 10/20 0.44
TBXA2R P21731 3/20 0.44
PTGDR Q13258 3/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGIR P43119 1/20 0.39

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
SCHEMBL136920 0.91 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRALDH1A1CYP3A4
SCHEMBL137363 0.89 PTGDR2 (0.53) CETPPTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL153859 0.87 PTGDR2 (0.61) CETPPTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL134618 0.86 PTGDR2 (0.46) CETPPTGDR2TBXA2RPTGDRABL1
SCHEMBL135805 0.86 PTGDR2 (0.56) CETPPTGDR2TBXA2RPTGDRJAK2
SCHEMBL134612 0.86 CETP (0.45) CETPPTGDR2TBXA2RPTGDRABL1
SCHEMBL136900 0.86 CETP (0.47) CETPPTGDR2TBXA2RPTGDRABL1
SCHEMBL135775 0.85 CETP (0.51) CETPPTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL137384 0.84 CETP (0.44) CETPPTGDR2TBXA2RPTGDRABL1
SCHEMBL137362 0.84 PTGDR2 (0.45) CETPPTGDR2TBXA2RPTGDRABL1

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