Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6789104

NC(CCn1nc2c(c1C(=O)O)CCc1cnccc1-2)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31
PLK1 P53350 1/20 0.31
GRB2 P62993 1/20 0.31
GRM8 O00222 2/20 0.31
GRM4 Q14833 2/20 0.31
ROCK2 O75116 4/20 0.31
ROCK1 Q13464 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 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 SCHEMBL6796012 0.88 DPP4 (0.32) AURKACCNA2CDK2CCNA1PLK1
SCHEMBL6789109 0.88
Trifluoroacetic Acid SCHEMBL4270462 0.86 CDK2 (0.41) AURKACCNA2CDK2CCNA1PLK1
Trifluoroacetic Acid SCHEMBL6793544 0.85 CDK2 (0.35) AURKACCNA2CDK2CCNA1PLK1
Trifluoroacetic Acid SCHEMBL6792620 0.84 ALDH1A1 (0.37) AURKACCNA2CDK2CCNA1PLK1
Trifluoroacetic Acid SCHEMBL6793603 0.84 CDK2 (0.33) AURKACCNA2CDK2CCNA1PLK1
Trifluoroacetic Acid SCHEMBL6791881 0.81 CHRM2 (0.35) AURKACCNA2CDK2CCNA1PLK1
Trifluoroacetic Acid SCHEMBL6791165 0.81 PLK1 (0.36) CDK2PLK1ROCK2
Trifluoroacetic Acid SCHEMBL6796768 0.81 CCNC (0.32) AURKACCNA2CDK2CCNA1
SCHEMBL1655455 0.81 CDK2 (0.36) AURKACCNA2CDK2CCNA1PLK1

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 AURKA 341/4885CCNA2 270/4885CDK2 29/4885

“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.