Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6794286

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCCN1CCCC1)-c1ccncc1CC2

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.36
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
AURKA O14965 1/20 0.36
NAMPT P43490 1/20 0.35
CACNA1B Q00975 2/20 0.31
SLC2A1 P11166 2/20 0.31
PDPK1 O15530 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
TGFBR1 P36897 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 SCHEMBL4256086 0.88 CDK2 (0.32) CDK2CCNA2CCNA1AURKAPDPK1
Trifluoroacetic Acid SCHEMBL1655186 0.88 KDM4C (0.34) CDK2NAMPTPDPK1
Trifluoroacetic Acid SCHEMBL6793561 0.88 CDK2 (0.32) CDK2CCNA2CCNA1AURKAPDPK1
SCHEMBL6794291 0.88 NAMPT (0.34) CDK2CCNA2CCNA1AURKANAMPT
Trifluoroacetic Acid SCHEMBL4270585 0.87 CDK2 (0.33) CDK2CCNA2CCNA1AURKANAMPT
Trifluoroacetic Acid SCHEMBL4263119 0.87 ROCK2 (0.39) CDK2CCNA2CCNA1AURKANAMPT
Trifluoroacetic Acid SCHEMBL1656607 0.87 CDK2 (0.36) CDK2CCNA2CCNA1AURKANAMPT
Trifluoroacetic Acid SCHEMBL4255932 0.86 KDM4C (0.34) CDK2NAMPTPDPK1
Trifluoroacetic Acid SCHEMBL1655450 0.86 NAMPT (0.41) CDK2CCNA2CCNA1AURKANAMPT
Trifluoroacetic Acid SCHEMBL4263955 0.86 ALDH1A1 (0.38) CDK2CCNA2CCNA1AURKAPDPK1

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 CDK2 29/4885CCNA2 270/4885CCNA1 527/4885

“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.