Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2978261

O=C(C1CC1)C1C[C@H]2CNC[C@@H]2C1.O=C(O)C(F)(F)F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.75
CHRNA4 P43681 13/20 0.75
CHRNA7 P36544 11/20 0.75
CHRNB4 P30926 10/20 0.75
CHRNA3 P32297 10/20 0.75
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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 SCHEMBL2978259 1.00 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL2981828 1.00 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL29455143 0.94 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2986204 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL21641094 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL3820614 0.82 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2990288 0.79 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2992845 0.79 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14049440 0.79 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906280 0.79 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 CHRNB2 1/4885CHRNA4 3/4885CHRNA7 8/4885

“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.