Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6795299

CN1CCN(C(=O)c2ccc(/C=C/c3cc4c(cn3)CCc3c-4nn4c3C(=O)NCC4)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.37
ALK Q9UM73 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PARP1 P09874 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CCNA1 P78396 2/20 0.33
AURKA O14965 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
TTK P33981 1/20 0.33

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 SCHEMBL6795303 1.00 KCNH2 (0.37) KCNH2ALKL3MBTL1PARP1MKNK1
Trifluoroacetic Acid SCHEMBL6794996 0.94 MAPKAPK2 (0.33) KCNH2ALKL3MBTL1HPGDMAPKAPK2
Trifluoroacetic Acid SCHEMBL6794988 0.94 MAPKAPK2 (0.33) KCNH2ALKL3MBTL1HPGDMAPKAPK2
Trifluoroacetic Acid SCHEMBL6789144 0.92 PARP1 (0.39) KCNH2ALKL3MBTL1PARP1CCNA2
Trifluoroacetic Acid SCHEMBL6789149 0.92 PARP1 (0.39) KCNH2ALKL3MBTL1PARP1CCNA2
Trifluoroacetic Acid SCHEMBL6792665 0.92 MAPKAPK2 (0.40) KCNH2L3MBTL1PARP1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6792669 0.92 MAPKAPK2 (0.40) KCNH2L3MBTL1PARP1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL4255917 0.88 MAPKAPK2 (0.30) MKNK2CDK2AURKACDK1MAPK1
Trifluoroacetic Acid SCHEMBL4255911 0.88 MAPKAPK2 (0.30) MKNK2CDK2AURKACDK1MAPK1
Trifluoroacetic Acid SCHEMBL4256992 0.88 MAPKAPK2 (0.36) MKNK2CCNA2CDK2CCNA1AURKA

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 KCNH2 1118/4885ALK 3223/4885L3MBTL1 4870/4885

“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.