SCHEMBL9103930

SCHEMBL9103930

OCCc1ccc(Oc2ncc(C(F)(F)F)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.40
SCN9A Q15858 2/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
LIPE Q05469 1/20 0.39
MAOB P27338 1/20 0.39
FAAH O00519 1/20 0.39
PPARA Q07869 1/20 0.38
FFAR1 O14842 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
SCN7A Q01118 1/20 0.38

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
SCHEMBL9106039 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNASCN9ALIPEMAOB
SCHEMBL876080 0.82 LIPE (0.57) LMNASCN9APLAAT3PLAAT5PLAAT2
SCHEMBL9106047 0.81 LMNA (0.42) SMN1; SMN2LMNASCN9ALIPEMAOB
SCHEMBL8875225 0.80 LTA4H (0.52) SCN9AMAOBPPARAFFAR1LTA4H
SCHEMBL9892512 0.80 SMN1; SMN2 (0.37) SMN1; SMN2LMNASCN9APLAAT3PLAAT5
SCHEMBL9889516 0.80 NPSR1 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4PPARA
SCHEMBL9109095 0.80 NPSR1 (0.43) SMN1; SMN2LMNAPLAAT3PLAAT5PLAAT2
SCHEMBL11097560 0.79 MEN1 (0.45) SMN1; SMN2LMNASCN9ALTA4HSCN7A
SCHEMBL9109045 0.77 MEN1 (0.53) SMN1; SMN2LMNAPLAAT3PLAAT5PLAAT2
SCHEMBL9103247 0.77 FAAH (0.42) SMN1; SMN2SCN9APLAAT3PLAAT5PLAAT2

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 16 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
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-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-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
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
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
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
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 SMN1; SMN2 3782/4885LMNA 512/4885SCN9A 4224/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 SMN1; SMN2 3782/4885LMNA 512/4885SCN9A 4224/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2828/4885LMNA 502/4885SCN9A 4695/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2782/4885LMNA 471/4885SCN9A 4668/4885

“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.