Sugi Predict

Sugi Predict / Compounds / SCHEMBL138063

SCHEMBL138063

SCHEMBL138063

CCOC(=O)Cc1cc(-c2ccc(C)cc2CN(CC)C(=O)OCc2ccccc2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ TBXA2R P21731 2/20 0.44
▸ PTGIR P43119 2/20 0.44
▸ PTGDR Q13258 2/20 0.44
▸ DHODH Q02127 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL137405 0.93 PTGDR2 (0.51) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL254421 0.89 PTGDR2 (0.58) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL137435 0.87 PTGDR2 (0.49) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL137927 0.86 PTGDR2 (0.55) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL136461 0.85 PTGDR2 (0.46) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL135182 0.83 PTGDR2 (0.51) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL137502 0.83 PTGDR2 (0.56) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL17387616 0.83 PTGDR2 (0.65) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL137548 0.82 PTGDR2 (0.52) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL137549 0.81 PTGDR2 (0.56) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR

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 2/4885CYP3A4 882/4885CYP2C9 690/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885CYP2C9 690/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885CYP2C9 690/4885

“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.