Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793094

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCc1cnc[nH]1)-c1ccncc1CC2

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.36
HRH3 Q9Y5N1 6/20 0.36
PDPK1 O15530 1/20 0.30
CDK2 P24941 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 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
SCHEMBL6793100 0.88
Trifluoroacetic Acid SCHEMBL4263955 0.88 ALDH1A1 (0.38) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6793561 0.87 CDK2 (0.32) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL1656585 0.85 ROCK2 (0.35) HRH4HRH3PDPK1CDK2
Trifluoroacetic Acid SCHEMBL1655186 0.85 KDM4C (0.34) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL4255932 0.85 KDM4C (0.34) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL4263853 0.85 ROCK2 (0.37) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL4270585 0.84 CDK2 (0.33) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL1658085 0.84 ALDH1A1 (0.31) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL1658814 0.84 ROCK2 (0.37) PDPK1CDK2

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 HRH4 2096/4885HRH3 1936/4885PDPK1 87/4885

“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.