Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3485978

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(N4CCCC4c4ccccn4)ccc3n2)cc1.O=C(O)C(F)(F)F.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 6)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.43
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CSNK1D P48730 8/20 0.39
CSNK1E P49674 8/20 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
SCHEMBL13498820 0.95 MAP3K5 (0.45) MAP3K5HDAC8HDAC6CSNK1DCSNK1E
SCHEMBL13498940 0.92 MAP3K5 (0.44) MAP3K5HDAC8HDAC6CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486253 0.87 CSNK1D (0.43) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486512 0.86 MAP3K5 (0.47) MAP3K5HDAC8HDAC6CSNK1DCSNK1E
SCHEMBL13498923 0.84 HDAC1 (0.42) HDAC8HDAC6CSNK1DCSNK1E
SCHEMBL13498961 0.82 CSNK1D (0.46) HDAC8HDAC6CSNK1DCSNK1E
SCHEMBL13498822 0.82 MAP3K5 (0.46) MAP3K5CSNK1DCSNK1E
SCHEMBL13498922 0.81 CSNK1D (0.41) HDAC8HDAC6CSNK1DCSNK1EBTK
SCHEMBL13498930 0.81 MAP3K5 (0.52) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486977 0.81 MAP3K5 (0.42) MAP3K5

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 42/4885HDAC8 262/4885HDAC6 286/4885

“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.