Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4099206

O=C(CCc1ccccc1)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncccc4c3)S2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
CDK1 P06493 1/20 0.40
MCHR1 Q99705 4/20 0.39
DYRK3 O43781 2/20 0.39
PLAU P00749 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 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

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 SCHEMBL4099194 1.00 ALOX5 (0.43) ALOX5CDK1MCHR1DYRK3PLAU
SCHEMBL2994755 0.96 ALOX5 (0.46) ALOX5CDK1MCHR1DYRK3PLAU
SCHEMBL2994760 0.96 ALOX5 (0.46) ALOX5CDK1MCHR1DYRK3PLAU
Trifluoroacetic Acid SCHEMBL4089468 0.89 CISD1 (0.39) CDK1DYRK3CISD1MAPTTP53
Trifluoroacetic Acid SCHEMBL4089474 0.89 CISD1 (0.39) CDK1DYRK3CISD1MAPTTP53
Trifluoroacetic Acid SCHEMBL4095087 0.88 PABPC1 (0.48) CDK1DYRK3MAPTPIK3CDPIM1
Trifluoroacetic Acid SCHEMBL4095081 0.88 PABPC1 (0.48) CDK1DYRK3MAPTPIK3CDPIM1
SCHEMBL4947101 0.87 DYRK3 (0.42) CDK1DYRK3CISD1MEN1KMT2A
SCHEMBL4946166 0.87 DYRK3 (0.42) CDK1DYRK3CISD1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4093888 0.87 OGA (0.40) DYRK3MAPTTP53PIK3CDPIM1

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 ALOX5 4155/4885CDK1 2193/4885MCHR1 3324/4885

“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.