Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3487221

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.43
DPP4 P27487 2/20 0.42
DPP9 Q86TI2 2/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
EIF2AK4 Q9P2K8 3/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.39
BTK Q06187 1/20 0.38

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
SCHEMBL13498840 0.95 MAP3K5 (0.46) MAP3K5CSNK1DCSNK1EEIF2AK4
Trifluoroacetic Acid SCHEMBL3486640 0.94 MAP3K5 (0.44) MAP3K5DPP4DPP9CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL3486317 0.90 MAP3K5 (0.46) MAP3K5DPP4DPP9CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL3485628 0.90 MAP3K5 (0.45) MAP3K5DPP4DPP9CYP2D6KCNH2
SCHEMBL13498843 0.89 MAP3K5 (0.47) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486927 0.87 CSNK1D (0.51) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3485546 0.86 MAP3K5 (0.46) MAP3K5DPP4DPP9CYP2D6KCNH2
SCHEMBL13498839 0.85 MAP3K5 (0.49) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486132 0.84 MAP3K5 (0.48) MAP3K5DPP4DPP9CYP2D6KCNH2
SCHEMBL13498835 0.84 MAP3K5 (0.48) MAP3K5CSNK1DCSNK1EIRAK4

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 42/4885DPP4 464/4885DPP9 1157/4885

“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.