Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4090018

O=C(O)C(F)(F)F.O=C1N=C(Nc2cc(NC(=O)C3CCNCC3)ccc2Cl)S/C1=C\c1ccc2nccnc2c1

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.37
CLK1 P49759 2/20 0.37
DYRK2 Q92630 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
DYRK3 O43781 1/20 0.37
CSNK1E P49674 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
GSK3B P49841 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK4 Q9NR20 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CISD1 Q9NZ45 2/20 0.36
PIK3CD O00329 1/20 0.36
CSNK2A2 P19784 1/20 0.36
MAOB P27338 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36

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 SCHEMBL4090023 1.00 DYRK1A (0.37) DYRK1ACLK1DYRK2DYRK1BDYRK3
SCHEMBL3639987 0.95 DYRK1A (0.41) DYRK1ACLK1DYRK2DYRK1BDYRK3
SCHEMBL3639983 0.95 DYRK1A (0.41) DYRK1ACLK1DYRK2DYRK1BDYRK3
Trifluoroacetic Acid SCHEMBL4090162 0.92 DYRK3 (0.42) DYRK1ACLK1DYRK2DYRK1BDYRK3
Trifluoroacetic Acid SCHEMBL4090149 0.92 DYRK3 (0.42) DYRK1ACLK1DYRK2DYRK1BDYRK3
SCHEMBL2988900 0.89 EGFR (0.40) DYRK1ACLK1DYRK2DYRK1BDYRK3
SCHEMBL2993521 0.89 EGFR (0.40) DYRK1ACLK1DYRK2DYRK1BDYRK3
SCHEMBL2993517 0.89 EGFR (0.40) DYRK1ACLK1DYRK2DYRK1BDYRK3
SCHEMBL2988902 0.89 EGFR (0.40) DYRK1ACLK1DYRK2DYRK1BDYRK3
SCHEMBL4090021 0.87 EGFR (0.36) DYRK1ACLK1DYRK2DYRK1BDYRK3

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DYRK1A 1531/4885CLK1 1393/4885DYRK2 1778/4885

“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.