Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4090191

O=C(O)C(F)(F)F.O=C1N=C(Nc2cc(C(=O)N3CCOCC3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CCR3 P51677 4/20 0.38
LRRK2 Q5S007 3/20 0.38
NLRP3 Q96P20 2/20 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

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 SCHEMBL4090187 1.00 DYRK3 (0.39) DYRK3MKNK1MKNK2CCR3LRRK2
SCHEMBL2994111 0.95 DYRK3 (0.42) DYRK3MKNK1MKNK2CCR3LRRK2
SCHEMBL2994114 0.95 DYRK3 (0.42) DYRK3MKNK1MKNK2CCR3LRRK2
Trifluoroacetic Acid SCHEMBL4094711 0.92 L3MBTL1 (0.42) DYRK3CCR3NLRP3PIK3CDPIM1
Trifluoroacetic Acid SCHEMBL4094715 0.92 L3MBTL1 (0.42) DYRK3CCR3NLRP3PIK3CDPIM1
Trifluoroacetic Acid SCHEMBL4087964 0.89 CCR3 (0.38) DYRK3CCR3
Trifluoroacetic Acid SCHEMBL4087957 0.89 CCR3 (0.38) DYRK3CCR3
Trifluoroacetic Acid SCHEMBL4102468 0.88 HPGD (0.37) DYRK3CCR3PIK3CDPIM1CSNK2A2
Trifluoroacetic Acid SCHEMBL4102474 0.88 HPGD (0.37) DYRK3CCR3PIK3CDPIM1CSNK2A2
SCHEMBL2995872 0.86 ENPP2 (0.43) DYRK3CCR3PIK3CDPIM1CSNK2A2

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 DYRK3 1471/4885MKNK1 48/4885MKNK2 27/4885

“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.