SCHEMBL1643166

SCHEMBL1643166

CC(NCc1cc(C(F)(F)F)ccc1Oc1cccc(CC(=O)O)c1)C(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGDR2 Q9Y5Y4 9/20 0.45
TBXA2R P21731 1/20 0.43
PTGDR Q13258 1/20 0.43
KCNQ3 O43525 3/20 0.43
KCNQ2 O43526 3/20 0.43
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
MAPK14 Q16539 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL1643170 1.00 MEN1 (0.48) MEN1KMT2APTGDR2TBXA2RPTGDR
SCHEMBL1643168 1.00 MEN1 (0.48) MEN1KMT2APTGDR2TBXA2RPTGDR
SCHEMBL1081277 0.83 HTR2A (0.58) PTGDR2TBXA2RPTGDRKCNQ3KCNQ2
SCHEMBL152630 0.81 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR
SCHEMBL152629 0.81 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR
SCHEMBL152628 0.81 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR
SCHEMBL1643644 0.78 SCN9A (0.57) MEN1KMT2APTGDR2TBXA2RPTGDR
SCHEMBL1008863 0.76 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRKCNQ3KCNQ2
SCHEMBL1945906 0.76 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRPPARGPPARD
SCHEMBL153939 0.76 PTGDR2 (0.59) PTGDR2TBXA2RPTGDR

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-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 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 (2 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-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER1 MEN1 4770/4885KMT2A 4201/4885PTGDR2 2/4885
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4863/4885KMT2A 4384/4885PTGDR2 2/4885

“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.