Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3780429

NCCCCC1(C(=O)O)CCCC1S.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 18/20 0.46
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 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 SCHEMBL3787528 0.99 CPB2 (0.48) CPB2CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3782819 0.96 CPB2 (0.41) CPB2CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3781605 0.96 CPB2 (0.41) CPB2CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3783935 0.96 CPB2 (0.41) CPB2CA12CA1CA2CA9
SCHEMBL3783443 0.87 CPB2 (0.34) CPB2
Hydrochloric Acid SCHEMBL3773547 0.86 CPB2 (0.33) CPB2
Phosphoric Acid SCHEMBL3784307 0.82 CPB2 (0.31) CPB2
Trifluoroacetic Acid SCHEMBL3782480 0.82 CPB2 (0.30) CPB2
Trifluoroacetic Acid SCHEMBL3776202 0.82 HTR5A (0.31) CPB2
SCHEMBL3780433 0.81 CPB2 (0.34) CPB2

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-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R CPB2 1603/4885CA12 858/4885CA1 2065/4885

“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.