Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793544

NC(=O)CCCn1nc2c(c1C(=O)O)CCc1cnccc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.35
PDPK1 O15530 2/20 0.35
AURKA O14965 5/20 0.34
CCNA2 P20248 5/20 0.34
CCNA1 P78396 5/20 0.34
PLK1 P53350 3/20 0.34
ALDH1A1 P00352 1/20 0.30
HTT P42858 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 SCHEMBL6792620 0.93 ALDH1A1 (0.37) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL4270462 0.91 CDK2 (0.41) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6793603 0.89 CDK2 (0.33) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6791165 0.87 PLK1 (0.36) CDK2PDPK1PLK1
SCHEMBL6793555 0.86 CDK2 (0.33) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6793561 0.85 CDK2 (0.32) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6787093 0.85 MCHR2 (0.34) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6789104 0.85 AURKA (0.31) CDK2AURKACCNA2CCNA1PLK1
Trifluoroacetic Acid SCHEMBL6791881 0.85 CHRM2 (0.35) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1656626 0.85 CDK2 (0.34) 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 2 patents. 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
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US disclosed

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.