SCHEMBL15647495

SCHEMBL15647495

CCOC(=O)C(C(=O)OCC)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
EPHX2 P34913 2/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
ALDH1A1 P00352 2/20 0.46
PDE2A O00408 2/20 0.45
MMP8 P22894 1/20 0.45
MAPT P10636 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL19032158 0.89 POLB (0.48) POLBEPHX2PPARAPPARGALDH1A1
SCHEMBL26923981 0.89 POLB (0.48) POLBEPHX2PPARAPPARGALDH1A1
SCHEMBL12175577 0.86 POLB (0.54) POLBEPHX2PPARAPPARGALDH1A1
SCHEMBL12175578 0.84 POLB (0.52) POLBEPHX2PPARAPPARGALDH1A1
SCHEMBL1938686 0.84 POLB (0.52) POLBEPHX2PPARAPPARGALDH1A1
SCHEMBL16633352 0.84 POLB (0.52) POLBEPHX2PPARAPPARGALDH1A1
SCHEMBL271585 0.82 MMP8 (0.59) ALDH1A1MMP8LMNASMN1; SMN2CYP1A2
SCHEMBL1275697 0.82 GPR139 (0.45) POLBMMP8L3MBTL1TSHR
SCHEMBL11932092 0.81 POLB (0.49) POLBEPHX2PPARAPPARGALDH1A1
SCHEMBL12895106 0.80 POLB (0.58) POLBEPHX2PPARAPPARGALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US disclosed
EP-2909193-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-04-19 EP disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
EP-3057950-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
CN-105073729-A Phenyl-linked quinolinyl modulators of ROR γ t JANSSEN PHARMACEUTICA NV 2015-11-18 CN disclosed
EP-2909193-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2015-08-26 EP disclosed
WO-2015057203-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
WO-2014062667-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2014-04-24 WO disclosed
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 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 (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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA POLB 3832/4885EPHX2 1675/4885PPARA 128/4885
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA POLB 3761/4885EPHX2 1857/4885PPARA 108/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB POLB 4368/4885EPHX2 1460/4885PPARA 185/4885
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB POLB 4382/4885EPHX2 939/4885PPARA 177/4885
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 POLB 176/4885EPHX2 2857/4885PPARA 1236/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 POLB 176/4885EPHX2 2857/4885PPARA 1236/4885

“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.