SCHEMBL153221

SCHEMBL153221

CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2C(CC)NC(=O)NCc2ccncc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.45
TBXA2R P21731 4/20 0.41
PTGDR Q13258 4/20 0.41
PPID Q08752 1/20 0.41
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
PPARD Q03181 3/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
NAMPT P43490 2/20 0.39
FPR2 P25090 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
PTGIR P43119 2/20 0.39
CETP P11597 1/20 0.39
EPHX2 P34913 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
SCHEMBL136731 0.92 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRPPIDPPARA
SCHEMBL153064 0.92 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRPPARAPPARG
SCHEMBL140350 0.92 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRPPARAPPARG
SCHEMBL139029 0.92 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRPPARAPPARG
SCHEMBL151608 0.91 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRPPARAPPARG
SCHEMBL155847 0.91 NAMPT (0.48) PTGDR2TBXA2RPTGDRNAMPTCYP3A4
SCHEMBL154889 0.90 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRPPARAPPARG
SCHEMBL151511 0.90 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL139305 0.89 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRPPARAPSEN1
SCHEMBL3412190 0.89 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRPPIDPPARA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
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-8067445-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-29 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 2/4885TBXA2R 12/4885PTGDR 1/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 12/4885PTGDR 1/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 12/4885PTGDR 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.