Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3385797

NC(=O)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)ncc1C1CC1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.49
PDPK1 O15530 1/20 0.49
SYK P43405 4/20 0.49
CTSC P53634 1/20 0.49
EGFR P00533 5/20 0.47
ITK Q08881 2/20 0.47
MARK3 P27448 1/20 0.44
MARK4 Q96L34 1/20 0.44
STK17A Q9UEE5 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR2 P34972 1/20 0.44
ULK1 O75385 1/20 0.43
ULK2 Q8IYT8 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
Trifluoroacetic Acid SCHEMBL3385804 0.90 TBK1 (0.53) TBK1PDPK1SYKCTSCEGFR
Trifluoroacetic Acid SCHEMBL3388234 0.88 TBK1 (0.63) TBK1PDPK1MARK3MARK4STK17A
Trifluoroacetic Acid SCHEMBL3384247 0.88 TBK1 (0.52) TBK1PDPK1SYKMARK3MARK4
Trifluoroacetic Acid SCHEMBL3386285 0.87 TBK1 (0.51) TBK1PDPK1SYKMARK3MARK4
Trifluoroacetic Acid SCHEMBL3387336 0.85 TBK1 (0.49) TBK1PDPK1SYKEGFRMARK3
Trifluoroacetic Acid SCHEMBL3389401 0.85 TBK1 (0.49) TBK1PDPK1EGFRMARK3MARK4
SCHEMBL3385800 0.84 TBK1 (0.60) TBK1PDPK1SYKCTSCEGFR
SCHEMBL3388022 0.84 TBK1 (0.54) TBK1PDPK1SYKCTSCITK
SCHEMBL3383879 0.82 TBK1 (0.69) TBK1PDPK1SYKMARK3MARK4
SCHEMBL3386107 0.82 TBK1 (0.56) TBK1PDPK1SYKEGFRMARK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 TBK1 2898/4885PDPK1 2468/4885SYK 627/4885

“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.