Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3486927

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(N4CCCC4)ccc3n2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.51
CSNK1E P49674 6/20 0.51
MAP3K5 Q99683 12/20 0.51
APAF1 O14727 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RET P07949 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
ITK Q08881 1/20 0.43
MERTK Q12866 1/20 0.43
PRKAA1 Q13131 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL13498803 0.94 MAP3K5 (0.56) CSNK1DCSNK1EMAP3K5APAF1GAA
SCHEMBL13498933 0.93 MAP3K5 (0.55) CSNK1DCSNK1EMAP3K5APAF1GAA
SCHEMBL13498932 0.93 MAP3K5 (0.55) CSNK1DCSNK1EMAP3K5APAF1GAA
Hydrochloric Acid SCHEMBL3485574 0.92 MAP3K5 (0.54) CSNK1DCSNK1EMAP3K5APAF1GAA
Trifluoroacetic Acid SCHEMBL3486132 0.91 MAP3K5 (0.48) CSNK1DCSNK1EMAP3K5RETCDK2
Trifluoroacetic Acid SCHEMBL3485628 0.90 MAP3K5 (0.45) CSNK1DCSNK1EMAP3K5RETCDK2
Trifluoroacetic Acid SCHEMBL3486640 0.89 MAP3K5 (0.44) CSNK1DCSNK1EMAP3K5RETCDK2
Trifluoroacetic Acid SCHEMBL3486317 0.89 MAP3K5 (0.46) CSNK1DCSNK1EMAP3K5KDM4ERET
Trifluoroacetic Acid SCHEMBL3485934 0.88 MAP3K5 (0.52) CSNK1DCSNK1EMAP3K5RETCDK2
Trifluoroacetic Acid SCHEMBL3485546 0.87 MAP3K5 (0.46) CSNK1DCSNK1EMAP3K5RETCDK2

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 CSNK1D 666/4885CSNK1E 772/4885MAP3K5 42/4885

“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.