Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9109627

NCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
IDO1 P14902 2/20 0.46
CHEK2 O96017 1/20 0.45
RAF1 P04049 6/20 0.44
BRAF P15056 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CDK8 P49336 2/20 0.44
ST14 Q9Y5Y6 1/20 0.44
FFAR1 O14842 2/20 0.44

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
SCHEMBL875395 0.91 IDO1 (0.54) PPARGPPARAIDO1CHEK2RAF1
Trifluoroacetic Acid SCHEMBL9105100 0.83 PPARG (0.47) PPARGPPARACHEK2RAF1BRAF
Trifluoroacetic Acid SCHEMBL9236987 0.82 PPARG (0.46) PPARGPPARACHEK2RAF1BRAF
SCHEMBL9107327 0.80 IDO1 (0.51) IDO1RAF1BRAFPLA2G7
SCHEMBL9105104 0.80 IDO1 (0.51) IDO1RAF1BRAFPLA2G7
SCHEMBL875664 0.79 IDO1 (0.50) PPARGPPARAIDO1CHEK2RAF1
SCHEMBL29918384 0.79 IDO1 (0.50) PPARGPPARAIDO1CHEK2RAF1
Trifluoroacetic Acid SCHEMBL17136514 0.79 MAPK14 (0.53) PPARGPPARAST14FFAR1
SCHEMBL365495 0.78 PLA2G7 (0.53) PPARGPPARACHEK2RAF1BRAF
SCHEMBL875588 0.78 IDO1 (0.51) PPARGPPARAIDO1CHEK2RAF1

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 7 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
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-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 PPARG 679/4885PPARA 484/4885IDO1 2560/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 PPARG 679/4885PPARA 484/4885IDO1 2560/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PPARG 585/4885PPARA 293/4885IDO1 838/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PPARG 494/4885PPARA 275/4885IDO1 884/4885

“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.