SCHEMBL138779

SCHEMBL138779

CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00
TBXA2R P21731 4/20 0.77
PTGDR Q13258 4/20 0.77
CYP3A4 P08684 2/20 0.70
CYP2C9 P11712 2/20 0.70
PTGIR P43119 2/20 0.70

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
SCHEMBL142820 0.96 PTGDR2 (0.93) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136971 0.96 PTGDR2 (0.93) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL151535 0.94 PTGDR2 (0.88) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL150210 0.92 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL29402580 0.92 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL253825 0.92 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13746086 0.92 PTGDR2 (0.84) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL154283 0.90 PTGDR2 (0.82) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL142814 0.89 PTGDR2 (0.80) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL135003 0.89 PTGDR2 (0.80) 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2912458-B1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECTS AT RISK OF PRETERM DELIVERY NYU WINTHROP HOSPITAL (US) 2018-07-18 EP claimed
US-9797903-B2 Non-invasive biomarker to identify subject at risk of preterm delivery WINTHROP-UNIVERSITY HOSPITAL (US) 2017-10-24 US claimed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP claimed
US-20150285800-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECT AT RISK OF PRETERM DELIVERY NYU WINTHROP HOSPITAL 2015-10-08 US claimed
EP-2912458-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECTS AT RISK OF PRETERM DELIVERY Winthrop-University Hospital (US) 2015-09-02 EP claimed
WO-2014066568-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECTS AT RISK OF PRETERM DELIVERY WINTHROP-UNIVERSITY HOSPITAL (US) 2014-05-01 WO claimed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US claimed
EP-2480225-A2 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS Panmira Pharmaceuticals, LLC (US) 2012-08-01 EP claimed
US-20120184493-A1 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEEUTICALS, LLC (US) 2012-07-19 US claimed
EP-2461809-A2 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS Panmira Pharmaceuticals, LLC (US) 2012-06-13 EP claimed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US claimed
US-20120059055-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-03-08 US claimed
US-8067445-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-29 US claimed
US-20110098352-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US claimed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US claimed
WO-2011014587-A2 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-03 WO claimed
WO-2011014588-A2 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-03 WO claimed
EP-2245002-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-11-03 EP claimed
WO-2009099901-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO claimed
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-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-20120184493-A1 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS BDKRB2, TRPV2, CYSLTR2 PTGDR2 14/4885TBXA2R 7/4885PTGDR 29/4885
US-20120059055-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGIR 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.