Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21632250

COC(=O)Cc1ccc[n+](Cc2ncco2)c1.O=C([O-])C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PDK2 Q15119 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL23351010 0.93 ALDH1A1 (0.37) SYKSMN1; SMN2ALDH1A1PDK2KDM4E
Trifluoroacetic Acid SCHEMBL23326582 0.84 CYP1A2 (0.36) NPSR1L3MBTL1
Trifluoroacetic Acid SCHEMBL21631876 0.82 SYK (0.35) SYKSMN1; SMN2ALDH1A1PDK2KDM4E
Trifluoroacetic Acid SCHEMBL26087231 0.78 PDK2 (0.37) SMN1; SMN2ALDH1A1PDK2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL26086337 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1PDK2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL30320101 0.77 PDK2 (0.36) SYKSMN1; SMN2ALDH1A1PDK2MEN1
Trifluoroacetic Acid SCHEMBL21631878 0.76 CYP11B1 (0.37) PDK2MEN1KMT2AL3MBTL1LMNA
SCHEMBL23351211 0.75 PKM (0.40) SYKSMN1; SMN2ALDH1A1KDM4EMEN1
Trifluoroacetic Acid SCHEMBL30147380 0.74 CYP4F2 (0.34) SYKSMN1; SMN2ALDH1A1PDK2KDM4E
SCHEMBL26414339 0.72 L3MBTL1 (0.52) ALDH1A1KDM4ENPSR1L3MBTL1LMNA

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-11885818-B2 Reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2024-01-30 US disclosed
EP-3826995-A1 REAGENT FOR MASS SPECTROMETRY F. Hoffmann-La Roche AG (CH) 2021-06-02 EP disclosed
US-20210140983-A1 REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. 2021-05-13 US disclosed
CN-112492881-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2021-03-12 CN disclosed
WO-2020020850-A1 REAGENT FOR MASS SPECTROMETRY F. HOFFMANN-LA ROCHE AG (CH) 2020-01-30 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 (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-20210140983-A1 REAGENT FOR MASS SPECTROMETRY SRMS, PTMS, MMAB SYK 4113/4885SMN1; SMN2 1851/4885ALDH1A1 83/4885
US-11885818-B2 Reagent for mass spectrometry SRMS, PTMS, MMAB SYK 4113/4885SMN1; SMN2 1851/4885ALDH1A1 83/4885

“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.