SCHEMBL9103887

SCHEMBL9103887

CCc1ccc(Oc2ccc(Cl)c(OC(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
PGK1 P00558 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM5 P08912 1/20 0.38
EPHX1 P07099 1/20 0.37
PPARG P37231 1/20 0.37
NOTUM Q6P988 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PDE3A Q14432 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HCRTR1 O43613 1/20 0.36
KDM4A O75164 1/20 0.35

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
SCHEMBL9103876 0.85 EPHX1 (0.37) CETPTRPV1PGK1CHRM5EPHX1
SCHEMBL8185415 0.84 EPHX1 (0.44) TSHRTRPV1PGK1PPARDPPARA
SCHEMBL9104112 0.83 FFAR1 (0.41) CETPTRPV1PPARAEPHX1PPARG
SCHEMBL2056132 0.81 TSHR (0.53) TSHRALDH1A1EPHX1SLC6A2SLC6A4
SCHEMBL9104268 0.79 IDO1 (0.50) PPARAPPARG
SCHEMBL9107960 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1NOTUMPDE3ASCN9A
SCHEMBL9109775 0.77 SCN3A (0.36) CETPALDH1A1NOTUMPDE3ASCN9A
SCHEMBL12967229 0.76 SLC6A4 (0.47) SMN1; SMN2PPARAALDH1A1PPARGSLC6A4
SCHEMBL9892542 0.76 EPHX1 (0.39) TRPV1PPARDPPARAEPHX1PPARG
SCHEMBL12967051 0.76 MRGPRX4 (0.42) SMN1; SMN2PPARDPPARAPPARGSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 CETP 73/4885TSHR 4840/4885SMN1; SMN2 3782/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 CETP 73/4885TSHR 4840/4885SMN1; SMN2 3782/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B CETP 398/4885TSHR 4449/4885SMN1; SMN2 2828/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B CETP 395/4885TSHR 4452/4885SMN1; SMN2 2782/4885

“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.