Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3485628

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(N4CCCC(O)C4)ccc3n2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 10/20 0.45
CSNK1D P48730 5/20 0.43
CSNK1E P49674 5/20 0.43
DPP4 P27487 2/20 0.41
DPP9 Q86TI2 2/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.40
RET P07949 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
ITK Q08881 1/20 0.39
MERTK Q12866 1/20 0.39
PRKAA1 Q13131 1/20 0.39
ROCK1 Q13464 1/20 0.39

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 SCHEMBL3485546 0.95 MAP3K5 (0.46) MAP3K5CSNK1DCSNK1EDPP4DPP9
SCHEMBL13498835 0.95 MAP3K5 (0.48) MAP3K5CSNK1DCSNK1EIRAK4RET
Trifluoroacetic Acid SCHEMBL3486640 0.91 MAP3K5 (0.44) MAP3K5CSNK1DCSNK1EDPP4DPP9
Trifluoroacetic Acid SCHEMBL3486132 0.90 MAP3K5 (0.48) MAP3K5CSNK1DCSNK1EDPP4DPP9
Trifluoroacetic Acid SCHEMBL3486927 0.90 CSNK1D (0.51) MAP3K5CSNK1DCSNK1ERETCDK2
SCHEMBL13498831 0.90 MAP3K5 (0.50) MAP3K5CSNK1DCSNK1ERETCDK2
Trifluoroacetic Acid SCHEMBL3487221 0.90 MAP3K5 (0.43) MAP3K5CSNK1DCSNK1EDPP4DPP9
SCHEMBL13498843 0.86 MAP3K5 (0.47) MAP3K5CSNK1DCSNK1ERETCDK2
Trifluoroacetic Acid SCHEMBL3486576 0.85 MAP3K5 (0.44) MAP3K5CSNK1DCSNK1EDPP4DPP9
Trifluoroacetic Acid SCHEMBL3486317 0.84 MAP3K5 (0.46) MAP3K5CSNK1DCSNK1EDPP4DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 MAP3K5 42/4885CSNK1D 666/4885CSNK1E 772/4885

“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.