Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL9103071

N=C(N)OCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.46
PLA2G7 Q13093 10/20 0.40
GPR84 Q9NQS5 1/20 0.37
BRAF P15056 2/20 0.36
KDR P35968 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL9107362 0.93 SCN9A (0.45) SCN9APLA2G7GPR84BRAFKDR
Trifluoromethanesulfonic Acid SCHEMBL9103515 0.89 SCN9A (0.43) SCN9APLA2G7GPR84
Trifluoromethanesulfonic Acid SCHEMBL9108262 0.88 PLA2G7 (0.44) SCN9APLA2G7GPR84BRAFPPARG
SCHEMBL9108123 0.81 PLA2G7 (0.46) SCN9APLA2G7GPR84
SCHEMBL9107367 0.81 SCN9A (0.49) SCN9APLA2G7BRAFKDRPPARG
SCHEMBL9108070 0.81 PLA2G7 (0.47) SCN9APLA2G7GPR84BRAFPPARG
SCHEMBL9889459 0.79 HTR2A (0.38) SCN9AGPR84PPARG
SCHEMBL29918519 0.78 PLA2G7 (0.47) SCN9APLA2G7BRAFKDRPPARG
SCHEMBL9104816 0.78 PLA2G7 (0.47) SCN9APLA2G7BRAFKDRPPARG
SCHEMBL14656196 0.75 AR (0.50) SCN9APLA2G7BRAFKDRPPARG

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-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 (3 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 SCN9A 4224/4885PLA2G7 6/4885GPR84 742/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 SCN9A 4224/4885PLA2G7 6/4885GPR84 742/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SCN9A 4695/4885PLA2G7 4/4885GPR84 446/4885

“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.