Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1991749

O=C(O)C(F)(F)F.O=C1CNCCCN1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.35
FKBP5 Q13451 1/20 0.34
CRBN Q96SW2 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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 SCHEMBL2308336 0.89 PKM (0.31)
SCHEMBL336077 0.82 OR51E2 (0.50) OR51E2FKBP5CRBN
SCHEMBL88947 0.82
Hydrochloric Acid SCHEMBL3838535 0.80
Trifluoroacetic Acid SCHEMBL419508 0.79
Trifluoroacetic Acid SCHEMBL3566248 0.79 OR51E2 (0.62) OR51E2FKBP5CRBNTDP1
Trifluoroacetic Acid SCHEMBL29566076 0.77 CRBN (0.64) OR51E2FKBP5CRBNTDP1
Trifluoroacetic Acid SCHEMBL15355467 0.77 TSHR (0.37) TDP1HRH4HRH3
Trifluoroacetic Acid SCHEMBL29139510 0.76 UHRF1 (0.34)
Caprolactam SCHEMBL5422431 0.76 CRBN (0.61) OR51E2FKBP5CRBNTDP1

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
CN-114621189-B Lactam derivative and application thereof 上海拓界生物医药科技有限公司 2024-01-02 CN disclosed
CN-114621189-A Lactam derivative and application thereof 上海拓界生物医药科技有限公司 2022-06-14 CN disclosed
EP-2512246-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2015-09-30 EP disclosed
US-8735417-B2 Aminopyrimidines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-20120309735-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-12-06 US disclosed
EP-2512246-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075560-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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-20120309735-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK OR51E2 3066/4885FKBP5 3465/4885CRBN 3165/4885

“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.