Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3027976

Cc1nc(Cl)c(C(=O)NCc2cccc(Oc3cc(Cl)cc(C#N)c3)c2F)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
EGLN2 Q96KS0 11/20 0.36
EGLN1 Q9GZT9 11/20 0.36
SCN9A Q15858 1/20 0.35
F3 P13726 2/20 0.35
EPAS1 Q99814 1/20 0.35
KLKB1 P03952 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL13217760 0.95 CYP3A4 (0.39) CYP3A4EGLN2EGLN1SCN9AEPAS1
Trifluoroacetic Acid SCHEMBL3028016 0.87 CYP3A4 (0.42) CYP3A4EGLN2EGLN1F3EPAS1
Trifluoroacetic Acid SCHEMBL3022142 0.84 CYP3A4 (0.39) CYP3A4EGLN2EGLN1EPAS1SLC22A12
Trifluoroacetic Acid SCHEMBL3028190 0.84 CYP3A4 (0.39) CYP3A4EPAS1
SCHEMBL13982108 0.83 MEN1 (0.38) KLKB1
SCHEMBL3017381 0.83 CYP3A4 (0.49) CYP3A4
SCHEMBL3027159 0.83 CYP3A4 (0.54) CYP3A4SCN9AEPAS1SLC22A12
SCHEMBL3027526 0.83 CYP3A4 (0.46) CYP3A4SCN9AEPAS1
Trifluoroacetic Acid SCHEMBL3023663 0.82 CYP3A4 (0.42) CYP3A4EGLN2EGLN1F3EPAS1
Trifluoroacetic Acid SCHEMBL13560603 0.82 CYP3A4 (0.42) CYP3A4EGLN2EGLN1SCN9A

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 CYP3A4 169/4885EGLN2 2951/4885EGLN1 3220/4885

“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.