Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6798826

CN(C)CCNc1cc2c(cn1)CCc1c-2nn2c1C(=O)NCC2.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.37
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
BRAF P15056 2/20 0.32
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31
APAF1 O14727 1/20 0.31
RAD52 P43351 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLK1 P53350 3/20 0.31
USP7 Q93009 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
PLK2 Q9NYY3 1/20 0.30

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 SCHEMBL4258570 0.85 CCNA2 (0.40) GSK3BAURKAL3MBTL1PLK1
Trifluoroacetic Acid SCHEMBL4263125 0.82 CCNA2 (0.43) AURKAL3MBTL1PLK1
Trifluoroacetic Acid SCHEMBL6794975 0.80 PIM1 (0.36) AURKATTKPLK1PLK3PLK2
Trifluoroacetic Acid SCHEMBL4267636 0.79 AR (0.32) IKBKB
Trifluoroacetic Acid SCHEMBL6791463 0.79 HRH4 (0.31)
Trifluoroacetic Acid SCHEMBL6794419 0.78 HRH4 (0.36) IKBKBPLK1PLK3PLK2
Trifluoroacetic Acid SCHEMBL4270922 0.77 MAPKAPK2 (0.36)
Trifluoroacetic Acid SCHEMBL6794506 0.77 HRH4 (0.36) IKBKBPLK1PLK3PLK2
Trifluoroacetic Acid SCHEMBL6793473 0.77 ALDH1A1 (0.33)
Trifluoroacetic Acid SCHEMBL6792011 0.77

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 IKBKB 634/4885ALPL 3297/4885ALPI 2037/4885

“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.