Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9103211

Cn1cc(Cc2c[nH]c(NCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)nc2=O)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.43
PLA2G7 Q13093 4/20 0.41
FLT1 P17948 1/20 0.37
RAF1 P04049 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL9892556 0.96 PLA2G7 (0.44) KDRPLA2G7RAF1CDK8
SCHEMBL9107294 0.88 PLA2G7 (0.44) KDRPLA2G7RAF1
Trifluoroacetic Acid SCHEMBL9107085 0.88 PLA2G7 (0.51) KDRPLA2G7FLT1RAF1CDK8
Trifluoroacetic Acid SCHEMBL9107399 0.85 PLA2G7 (0.52) KDRPLA2G7FLT1RAF1CDK8
Trifluoroacetic Acid SCHEMBL15263268 0.85 PLA2G7 (0.42) KDRPLA2G7
SCHEMBL9889588 0.85 HPGD (0.35) PLA2G7
SCHEMBL9892538 0.83 PLA2G7 (0.55) KDRPLA2G7RAF1CDK8
SCHEMBL9108735 0.82 PLA2G7 (0.46) KDRPLA2G7
SCHEMBL9103217 0.81 KDR (0.43) KDRPLA2G7
Trifluoroacetic Acid SCHEMBL17219708 0.81 PLA2G7 (0.48) PLA2G7

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 KDR 1173/4885PLA2G7 6/4885FLT1 1817/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 KDR 1173/4885PLA2G7 6/4885FLT1 1817/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B KDR 1120/4885PLA2G7 4/4885FLT1 1368/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B KDR 1061/4885PLA2G7 4/4885FLT1 1375/4885

“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.