Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3486629

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(N4CCCC4Cc4cccnc4)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 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 10/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CSNK1D P48730 5/20 0.39
CSNK1E P49674 5/20 0.39
RET P07949 2/20 0.38
CDK2 P24941 2/20 0.38
GSK3B P49841 2/20 0.38
ITK Q08881 2/20 0.38
MERTK Q12866 2/20 0.38
PRKAA1 Q13131 2/20 0.38
ROCK1 Q13464 2/20 0.38
MAP3K6 O95382 2/20 0.38
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13498823 0.96 MAP3K5 (0.49) MAP3K5MEN1KMT2AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3486139 0.87 MAP3K5 (0.46) MAP3K5MEN1KMT2AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3486512 0.86 MAP3K5 (0.47) MAP3K5LMNAMAPTCSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486977 0.85 MAP3K5 (0.42) MAP3K5
Trifluoroacetic Acid SCHEMBL3486349 0.83 MAP3K5 (0.43) MAP3K5CSNK1DCSNK1ERETCDK2
Trifluoroacetic Acid SCHEMBL3486390 0.83 HIF1A (0.50) MAP3K5MEN1KMT2AALDH1A1LMNA
SCHEMBL13498828 0.82 MAP3K5 (0.50) MAP3K5MEN1KMT2AALDH1A1LMNA
SCHEMBL13861999 0.82 MAP3K5 (0.49) MAP3K5CSNK1DCSNK1ERETCDK2
Trifluoroacetic Acid SCHEMBL3486253 0.82 CSNK1D (0.43) MAP3K5CSNK1DCSNK1ERETCDK2
SCHEMBL13498821 0.81 MAP3K5 (0.51) MAP3K5LMNAMAPTRETCDK2

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 42/4885MEN1 758/4885KMT2A 473/4885

“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.