SCHEMBL1053615

SCHEMBL1053615

COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CNC(=O)C1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.67
TBXA2R P21731 5/20 0.61
PTGDR Q13258 5/20 0.61
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
PTGIR P43119 2/20 0.53

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
SCHEMBL1060166 0.96 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL142821 0.87 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1055326 0.86 PTGDR2 (0.75) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1057389 0.86 PTGDR2 (0.81) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1056741 0.85 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136972 0.85 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153611 0.85 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1055322 0.85 PTGDR2 (0.73) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3627264 0.85 PTGDR2 (0.73) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1083545 0.84 PTGDR2 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497381-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-07-30 US disclosed
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-01-27 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 (1 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-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 10/4885PTGDR 1/4885

“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.