Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3783956

NCc1ccc(CC2(C(=O)O)CCCC2S)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.38
ITGB3 P05106 4/20 0.38
ITGB1 P05556 4/20 0.38
ITGA5 P08648 4/20 0.38
ITGAV P06756 3/20 0.38
ITGB5 P18084 2/20 0.36
ITGB2 P05107 1/20 0.36
ITGB6 P18564 1/20 0.36
ITGAL P20701 1/20 0.36
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
F2 P00734 7/20 0.32
ITGA2B P08514 1/20 0.32
PRSS1 P07477 5/20 0.32
F10 P00742 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TPSAB1 Q15661 4/20 0.32
SLC1A2 P43004 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
Trifluoroacetic Acid SCHEMBL3778605 0.83 GABRP (0.39)
Trifluoroacetic Acid SCHEMBL3782192 0.79 CPB2 (0.38) F2F10CYP3A4
Trifluoroacetic Acid SCHEMBL3782819 0.76 CPB2 (0.41)
Trifluoroacetic Acid SCHEMBL3783935 0.76 CPB2 (0.41)
Trifluoroacetic Acid SCHEMBL3781605 0.76 CPB2 (0.41)
Trifluoroacetic Acid SCHEMBL3780429 0.74 CPB2 (0.46)
Trifluoroacetic Acid SCHEMBL3787528 0.73 CPB2 (0.48) CHRM2CHRM1CHRM3
SCHEMBL7098750 0.72 NPC1 (0.44) CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3784593 0.69 SLC6A2 (0.32) CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3787608 0.69 CPB2 (0.38) HTR5A

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 HTR5A 350/4885ITGB3 1439/4885ITGB1 1808/4885

“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.