Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6249351

O=C(O)C(F)(F)F.O=C1COc2ccccc2N1C1CCNCC1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.45
CTSS P25774 8/20 0.44
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
CD74 P04233 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NOTUM Q6P988 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4717172 0.89 NOTUM (0.44) CTSSSCN1ASCN5ASCN9AMEN1
Hydrochloric Acid SCHEMBL6865031 0.88 NOTUM (0.43) CTSSSCN1ASCN5ASCN9AMEN1
Trifluoroacetic Acid SCHEMBL6250608 0.81 OPRM1 (0.51)
SCHEMBL31290018 0.79 NOTUM (0.50) CTSSSCN1ASCN5ASCN9AMEN1
SCHEMBL6249352 0.78 SCN1A (0.48) CTSSSCN1ASCN5ASCN9ACD74
SCHEMBL7346980 0.77 OPRM1 (0.50) CTSSSCN1ASCN5ASCN9AMEN1
SCHEMBL14667894 0.76 CTSS (0.44) CTSSSCN9ACD74MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6247966 0.76 OXTR (0.44) CACNA1BCTSSCD74
Trifluoroacetic Acid SCHEMBL10004823 0.76 MET (0.35)
SCHEMBL11009319 0.76 OPRM1 (0.52) CTSSSCN1ASCN5ASCN9AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256575-B1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA (JP) 2005-08-17 EP disclosed
US-6916822-B2 Phenoxyalkylamine derivatives useful as opioid δ receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-12 US disclosed
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-07 US disclosed
US-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-11 US disclosed
EP-1256575-A1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-11-13 EP 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 (2 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-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRD1 CACNA1B 468/4885CTSS 2849/4885SCN1A 337/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 CACNA1B 265/4885CTSS 3202/4885SCN1A 174/4885

“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.