Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793508

CCOC(=O)NC(=O)NCCCn1nc2c(c1C(=O)O)CCc1cnccc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK6 Q00534 1/20 0.33
TRPM2 O94759 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL6793513 0.89 CDK4 (0.32) CDK4CCNA2CDK2CCND3CCNA1
Trifluoroacetic Acid SCHEMBL6792947 0.89 CYP1A2 (0.38) CDK4CCNA2CDK2CCND3CCNA1
Trifluoroacetic Acid SCHEMBL6791540 0.86 CYP1A2 (0.34) CDK2CYP1A2CYP3A4CYP2C9HPGD
Trifluoroacetic Acid SCHEMBL1655691 0.84 CDK2 (0.32) CCNA2CDK2CCNA1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL6795264 0.84 NPC1 (0.39) CYP1A2CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL6790792 0.83 KDM4E (0.33) CDK2HPGD
Trifluoroacetic Acid SCHEMBL1655186 0.83 KDM4C (0.34) CDK2CYP1A2CYP3A4CYP2C9HPGD
Trifluoroacetic Acid SCHEMBL6800586 0.83 NAMPT (0.44) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
Trifluoroacetic Acid SCHEMBL6793121 0.83 ALDH1A1 (0.40) CYP2C9
SCHEMBL1655696 0.82 KDM4E (0.32) CDK2CYP1A2CYP3A4CYP2C9HPGD

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 CDK4 154/4885CCNA2 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.