Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6796768

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCN1CCNCC1)-c1ccncc1CC2

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDK2 P24941 3/20 0.31
CCNA2 P20248 2/20 0.31
CDK4 P11802 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
AURKA O14965 1/20 0.31

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 SCHEMBL6791881 0.88 CHRM2 (0.35) CCNCCDK8HASPINCDK2CCNA2
SCHEMBL6796772 0.87 CCNC (0.31) CCNCCDK8HASPINMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL6787093 0.86 MCHR2 (0.34) CCNCCDK8HASPINALDH1A1SMN1; SMN2
SCHEMBL6787046 0.86 CDK2 (0.38) CDK2CCNA2CHRM2CHRM4CHRM1
Trifluoroacetic Acid SCHEMBL4270462 0.85 CDK2 (0.41) HRH4CDK2CCNA2AURKACCNA1
Trifluoroacetic Acid SCHEMBL6792620 0.85 ALDH1A1 (0.37) ALDH1A1CDK2CCNA2AURKACCNA1
Trifluoroacetic Acid SCHEMBL6793603 0.85 CDK2 (0.33) CDK2CCNA2AURKACCNA1PDPK1
SCHEMBL6793396 0.85 NAMPT (0.36) ALDH1A1CDK2CCNA2CHRM1AURKA
SCHEMBL6793766 0.85 CCNA2 (0.39) CDK2CCNA2CHRM2CHRM4CHRM3
Trifluoroacetic Acid SCHEMBL6793544 0.84 CDK2 (0.35) ALDH1A1CDK2CCNA2AURKACCNA1

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 CCNC 291/4885CDK8 181/4885HASPIN 764/4885

“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.