SCHEMBL9106584

SCHEMBL9106584

NNC(=O)OCCc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
PLAAT3 P53816 2/20 0.40
PLAAT5 Q96KN8 2/20 0.40
PLAAT2 Q9NWW9 2/20 0.40
PLAAT4 Q9UL19 2/20 0.40
FAAH O00519 1/20 0.40
ACACB O00763 6/20 0.37
ACACA Q13085 5/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
LTA4H P09960 2/20 0.37
EPHX2 P34913 2/20 0.37
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL9108302 0.87 PLAAT3 (0.53) AOC3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9105917 0.84 LTA4H (0.51) LTA4HEPHX2ALDH1A1MAPK14
SCHEMBL9106578 0.81 FAAH (0.37) PLAAT3PLAAT5PLAAT2PLAAT4FAAH
SCHEMBL9105858 0.78 KDM4E (0.51) FAAHLTA4HEPHX2PPARGMAPK14
SCHEMBL9108080 0.77 BRAF (0.48) OPRK1EPHX2PPARGMAPK14
SCHEMBL9103247 0.76 FAAH (0.42) PLAAT3PLAAT5PLAAT2PLAAT4FAAH
SCHEMBL9107802 0.76 TLR8 (0.46) LTA4HEPHX2ALDH1A1LMNAMAPK14
SCHEMBL875696 0.73 LTA4H (0.50) PLAAT3PLAAT5PLAAT2PLAAT4FAAH
SCHEMBL4373280 0.73 ST14 (0.52)
SCHEMBL9108067 0.72 FFAR4 (0.40) AOC3ACACBACACAPPARG

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 AOC3 1423/4885PLAAT3 56/4885PLAAT5 36/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 AOC3 1423/4885PLAAT3 56/4885PLAAT5 36/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AOC3 1027/4885PLAAT3 60/4885PLAAT5 36/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AOC3 1046/4885PLAAT3 59/4885PLAAT5 36/4885

“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.