SCHEMBL136731

SCHEMBL136731

CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2C(CC)NC(=O)NCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.53
TBXA2R P21731 3/20 0.47
PTGDR Q13258 3/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTGIR P43119 1/20 0.46
PPARA Q07869 4/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
PPARG P37231 2/20 0.42
PPID Q08752 1/20 0.42
PPARD Q03181 1/20 0.42
CETP P11597 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
SCHEMBL138313 0.94 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL140350 0.94 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL154552 0.94 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153064 0.94 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL139029 0.93 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL152431 0.92 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153221 0.92 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137545 0.92 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL138451 0.92 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL151366 0.92 PTGDR2 (0.49) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572785-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-02-21 US disclosed
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF BRICKELL BIOTECH, INC. 2016-05-19 US disclosed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
US-8815917-B2 DP2 antagonist and uses thereof PANMIRA PHARMACEUTICALS, LLC (US) 2014-08-26 US 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-8338484-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-12-25 US disclosed
EP-2462110-A2 DP2 ANTAGONIST AND USES THEREOF Panmira Pharmaceuticals, LLC (US) 2012-06-13 EP disclosed
US-8168678-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors Panmira Pharmaceuticals, Inc. (US) 2012-05-01 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20120059055-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-20110098352-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110034558-A1 DP2 Antagonist and Uses Thereof AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
WO-2011017201-A2 DP2 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-06 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 (8 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
US-20110098352-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGIR PTGDR2 2/4885TBXA2R 6/4885PTGDR 1/4885
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGIR PTGDR2 2/4885TBXA2R 6/4885PTGDR 1/4885
US-20110034558-A1 DP2 Antagonist and Uses Thereof PTGER2, PTGES2, PTGDR2 PTGDR2 3/4885TBXA2R 20/4885PTGDR 9/4885
US-20120059055-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGIR PTGDR2 2/4885TBXA2R 6/4885PTGDR 1/4885
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGES2, PTGDR2 PTGDR2 3/4885TBXA2R 20/4885PTGDR 9/4885

“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.