Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1678089

O=C(O)C(F)(F)F.O=C1c2ccccc2C(=O)N1OC1CCNC1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.38
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
HRH1 P35367 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR1A P08908 1/20 0.35
KEAP1 Q14145 1/20 0.35
F2 P00734 1/20 0.35
JAK3 P52333 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL1678087 1.00 CHRM3 (0.38) CHRM3SSTR1SSTR4HRH1SLC6A2
Trifluoroacetic Acid SCHEMBL1676967 0.92 CHRM3 (0.41) CHRM3HRH1CYP1A2ALDH1A1CYP2C9
SCHEMBL9387157 0.80 HTR2B (0.43) CHRM3SLC6A2HTR1A
SCHEMBL2184889 0.79 HRH1 (0.46) CHRM3HRH1SLC6A2SLC6A3CYP1A2
SCHEMBL32665351 0.79 HRH1 (0.46) CHRM3HRH1SLC6A2SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL1677150 0.78 HRH1 (0.45) CHRM3HRH1SLC6A2SLC6A3CYP1A2
SCHEMBL9388231 0.78 GAA (0.43) CYP1A2ALDH1A1CYP2C9F2
Trifluoroacetic Acid SCHEMBL23830685 0.76 HRH1 (0.58) SSTR1SSTR4HRH1SLC6A2HTR1A
Trifluoroacetic Acid SCHEMBL25267264 0.72 KEAP1 (0.43) CHRM3SSTR1SSTR4SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL25205010 0.72 KEAP1 (0.43) CHRM3SSTR1SSTR4SLC6A2SLC6A4

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
US-8518934-B2 Oxycarbamoyl compounds and the use thereof SHONOGI & CO., LTD. (JP) 2013-08-27 US disclosed
EP-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed
EP-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO 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 (1 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-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF CACNA1B, ORAI1, CACNA1I CHRM3 311/4885SSTR1 1242/4885SSTR4 1628/4885

“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.