Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2158506

C[n+]1cccc2ccccc21.O=C([O-])C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN1 Q92952 1/20 0.39
ACHE P22303 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
USP2 O75604 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
Acetic Acid SCHEMBL2035112 0.86 ACHE (0.43) ACHEMEN1KMT2AALDH1A1KDM4E
Acetic Acid SCHEMBL7069803 0.86 ACHE (0.43) ACHEMEN1KMT2AALDH1A1KDM4E
Acetic Acid SCHEMBL2036516 0.83 KMT2A (0.41) ACHEMEN1KMT2AALDH1A1KDM4E
Succinic Acid SCHEMBL2036515 0.81 MEN1 (0.43) ACHEMEN1KMT2AALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2158070 0.81 KCNN1 (0.40) KCNN1MEN1KMT2AALDH1A1KDM4E
Trifluoromethanesulfonic Acid SCHEMBL7077338 0.80 GPR3 (0.41) ACHEALDH1A1KDM4EHPGD
Trifluoromethanesulfonic Acid SCHEMBL31683143 0.80 GPR3 (0.41) ACHEALDH1A1KDM4EHPGD
SCHEMBL29752612 0.80 ACHE (0.53) ACHE
SCHEMBL307903 0.80 ACHE (0.53) ACHE
Trifluoroacetic Acid SCHEMBL2072121 0.80 MEN1 (0.42) KCNN1MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 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 (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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 KCNN1 3482/4885ACHE 3931/4885MEN1 227/4885

“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.