Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793644

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNc1cccnc1)-c1ccncc1CC2

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.36
PDPK1 O15530 1/20 0.36
AURKA O14965 3/20 0.34
CCNA2 P20248 3/20 0.34
CCNA1 P78396 3/20 0.34
PLK1 P53350 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
ROCK2 O75116 3/20 0.34
GRK2 P25098 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
GPR6 P46095 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 1/20 0.33
APAF1 O14727 1/20 0.33
PABPC1 P11940 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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 SCHEMBL1656626 0.89 CDK2 (0.34) CDK2PDPK1AURKACCNA2CCNA1
SCHEMBL6793648 0.87 CDK2 (0.33) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6791633 0.87 ALDH1A1 (0.44) HTR2AALDH1A1
SCHEMBL6793287 0.87 ROCK2 (0.36) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1655238 0.87 L3MBTL1 (0.38) CDK2AURKACCNA2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL4256086 0.86 CDK2 (0.32) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6800586 0.86 NAMPT (0.44) ROCK2HTR2AALDH1A1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4265277 0.86 CDK2 (0.36) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6793561 0.86 CDK2 (0.32) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL4263955 0.85 ALDH1A1 (0.38) CDK2PDPK1AURKACCNA2CCNA1

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 CDK2 29/4885PDPK1 87/4885AURKA 341/4885

“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.