Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4097884

CN1CCC(NC(=O)c2ccc(Cl)c(NC3=NC(=O)/C(=C/c4ccc5ncccc5c4)S3)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.39
DYRK3 O43781 2/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAPK14 Q16539 1/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3C2A O00443 1/20 0.37
PIK3C2B O00750 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
HTR3A P46098 1/20 0.36
FLT3 P36888 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 SCHEMBL4097894 1.00 PTK2 (0.39) PTK2DYRK3AURKAAURKBMAPK14
SCHEMBL3642199 0.95 PTK2 (0.40) PTK2DYRK3AURKAAURKBMAPK14
SCHEMBL3642201 0.95 PTK2 (0.40) PTK2DYRK3AURKAAURKBMAPK14
Trifluoroacetic Acid SCHEMBL4096273 0.91 DYRK3 (0.38) PTK2DYRK3MAPK14DRD2HTR2A
Trifluoroacetic Acid SCHEMBL4096267 0.91 DYRK3 (0.38) PTK2DYRK3MAPK14DRD2HTR2A
Trifluoroacetic Acid SCHEMBL4094711 0.88 L3MBTL1 (0.42) DYRK3PIK3CDPIK3CAPIK3CGKDM4E
Trifluoroacetic Acid SCHEMBL4094715 0.88 L3MBTL1 (0.42) DYRK3PIK3CDPIK3CAPIK3CGKDM4E
Trifluoroacetic Acid SCHEMBL4084120 0.87 DRD3 (0.46) DRD2HTR2ADRD3KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4084123 0.87 DRD3 (0.46) DRD2HTR2ADRD3KDM4EALDH1A1
SCHEMBL2995664 0.86 DYRK3 (0.41) PTK2DYRK3AURKAAURKBMAPK14

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 PTK2 144/4885DYRK3 1471/4885AURKA 2222/4885

“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.