SCHEMBL877431

SCHEMBL877431

O=C1c2ccccc2C(=O)N1Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.48
CHRM5 P08912 2/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CHRM3 P20309 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLA2G7 Q13093 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL5115439 0.84 CASP3 (0.55) CASP3CHRM5MEN1ALDH1A1GAA
SCHEMBL5112878 0.84 CASP3 (0.51) CASP3CHRM5MEN1ALDH1A1GAA
SCHEMBL5126848 0.81 CASP3 (0.51) CASP3CHRM5ADRA1DADRA1AADRA1B
SCHEMBL5120964 0.79 CASP3 (0.51) CASP3CHRM5MEN1ALDH1A1GAA
SCHEMBL2570381 0.78 CASP3 (0.63) CASP3CHRM5ADRA1DADRA1AADRA1B
SCHEMBL5114960 0.78 CASP3 (0.54) CASP3CHRM5ADRA1DADRA1AADRA1B
SCHEMBL5118846 0.78 CASP3 (0.56) CASP3MEN1ALDH1A1GAAALOX15
SCHEMBL5126582 0.77 CASP3 (0.50) CASP3CHRM5ADRA1DADRA1AADRA1B
SCHEMBL5668761 0.77 PPARG (0.52) PPARGPPARAPLA2G7
SCHEMBL5111610 0.77 CASP3 (0.58) CASP3CHRM5ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-09-29 US disclosed
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-08-15 US disclosed
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-05-07 US disclosed
US-20180009766-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-01-11 US disclosed
EP-3239135-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-11-01 EP disclosed
WO-2016101927-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF 中国科学院上海药物研究所 2016-06-30 WO disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
US-7361783-B2 (2S)-2-ethylphenylpropionic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
EP-1508566-B1 (2S)-2-ETHYLPHENYLPROPIONIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2007-07-18 EP disclosed
US-20060084702-A1 (2S)-2-ethylphenylpropionic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-04-20 US disclosed
EP-1508566-A1 (2S)-2-ETHYLPHENYLPROPIONIC ACID DERIVATIVE KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-02-23 EP 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 (7 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-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A CASP3 3472/4885CHRM5 1777/4885ADRA1D 561/4885
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A CASP3 3472/4885CHRM5 1777/4885ADRA1D 561/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CASP3 837/4885CHRM5 1961/4885ADRA1D 1855/4885
US-20180009766-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof PLA2G12B, PLA2G1B, PLA2G4A CASP3 3472/4885CHRM5 1777/4885ADRA1D 561/4885
US-20060084702-A1 (2S)-2-ethylphenylpropionic acid derivative PPARA, PPARG, PPARD CASP3 2013/4885CHRM5 2186/4885ADRA1D 169/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CASP3 837/4885CHRM5 1961/4885ADRA1D 1855/4885
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof PLA2G12B, PLA2G1B, PLA2G4A CASP3 3472/4885CHRM5 1777/4885ADRA1D 561/4885

“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.