Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6792657

O=C(O)C(F)(F)F.O=C1NCCn2nc3c(c21)CCc1cnc(/C=C/c2ccc(C(=O)N4CCC[C@H]4CN4CCCC4)cc2)cc1-3

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.46
TTK P33981 4/20 0.39
HRH3 Q9Y5N1 5/20 0.38
KCNH2 Q12809 1/20 0.38
AURKA O14965 2/20 0.37
ATR Q13535 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
MET P08581 3/20 0.35

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 SCHEMBL6792661 1.00 ALK (0.46) ALKTTKHRH3KCNH2AURKA
Trifluoroacetic Acid SCHEMBL6800615 0.93 ALK (0.43) ALKTTKHRH3KCNH2AURKA
Trifluoroacetic Acid SCHEMBL6800617 0.93 ALK (0.43) ALKTTKHRH3KCNH2AURKA
Trifluoroacetic Acid SCHEMBL6794988 0.87 MAPKAPK2 (0.33) ALKKCNH2
Trifluoroacetic Acid SCHEMBL6794996 0.87 MAPKAPK2 (0.33) ALKKCNH2
Trifluoroacetic Acid SCHEMBL6795299 0.83 KCNH2 (0.37) ALKTTKKCNH2AURKA
Trifluoroacetic Acid SCHEMBL4255917 0.82 MAPKAPK2 (0.30) AURKAMET
Trifluoroacetic Acid SCHEMBL4255911 0.82 MAPKAPK2 (0.30) AURKAMET
Trifluoroacetic Acid SCHEMBL4256992 0.82 MAPKAPK2 (0.36) AURKAMET
Trifluoroacetic Acid SCHEMBL4256994 0.82 MAPKAPK2 (0.36) AURKAMET

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ALK 3223/4885TTK 128/4885HRH3 1936/4885

“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.