SCHEMBL3367887

SCHEMBL3367887

CCOC(=O)Cc1cc(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)NCc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.59
TBXA2R P21731 4/20 0.44
PTGDR Q13258 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
PTGIR P43119 2/20 0.44
DHFR P00374 1/20 0.41
CETP P11597 3/20 0.40
PPID Q08752 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3365386 0.93 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13428365 0.91 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3367560 0.86 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13428237 0.83 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL135842 0.83 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13428103 0.82 PTGDR2 (0.43) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136730 0.81 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2576525 0.81 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137544 0.80 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13428366 0.80 PTGDR2 (0.52) PTGDR2

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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 6/4885PTGDR 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.