Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4093830

CCNC(=O)c1ccc(Cl)c(NC2=NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CISD1 Q9NZ45 1/20 0.37
PIK3CD O00329 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
CLK1 P49759 1/20 0.37
CLK3 P49761 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
DYRK1A Q13627 1/20 0.37
HASPIN Q8TF76 1/20 0.37
DYRK2 Q92630 1/20 0.37
MYLK2 Q9H1R3 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
STK17A Q9UEE5 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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 SCHEMBL4093835 1.00 DYRK3 (0.39) DYRK3HDAC1HDAC6CISD1PIK3CD
SCHEMBL2997101 0.95 DYRK3 (0.42) DYRK3HDAC1HDAC6CISD1PIK3CD
SCHEMBL2997096 0.95 DYRK3 (0.42) DYRK3HDAC1HDAC6CISD1PIK3CD
Trifluoroacetic Acid SCHEMBL4089216 0.92 HDAC1 (0.39) DYRK3HDAC1HDAC6CISD1PIK3CD
Trifluoroacetic Acid SCHEMBL4089208 0.92 HDAC1 (0.39) DYRK3HDAC1HDAC6CISD1PIK3CD
Trifluoroacetic Acid SCHEMBL4090201 0.91 HDAC1 (0.40) DYRK3HDAC1HDAC6CISD1PIK3CD
Trifluoroacetic Acid SCHEMBL4090192 0.91 HDAC1 (0.40) DYRK3HDAC1HDAC6CISD1PIK3CD
Trifluoroacetic Acid SCHEMBL4083684 0.90 CCR3 (0.40) DYRK3HDAC1HDAC6PIK3CDPIM1
Trifluoroacetic Acid SCHEMBL4083690 0.90 CCR3 (0.40) DYRK3HDAC1HDAC6PIK3CDPIM1
Trifluoroacetic Acid SCHEMBL4091167 0.89 DYRK3 (0.38) DYRK3HDAC1HDAC6CISD1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO 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 DYRK3 1471/4885HDAC1 1549/4885HDAC6 194/4885

“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.