Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6792669

O=C(O)C(F)(F)F.O=C1NCCn2nc3c(c21)CCc1cnc(C=Cc2ccc(C(=O)N4CCOCC4)cc2)cc1-3

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
KCNH2 Q12809 4/20 0.37
MLYCD O95822 1/20 0.33
PIK3CD O00329 5/20 0.32
PIK3R2 O00459 5/20 0.32
PIK3CA P42336 5/20 0.32
PIK3CB P42338 5/20 0.32
PIK3CG P48736 5/20 0.32
PIK3R5 Q8WYR1 5/20 0.32
PIK3R3 Q92569 5/20 0.32
TGFBR1 P36897 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
PARP1 P09874 1/20 0.32
EPHX2 P34913 1/20 0.31
RAD52 P43351 1/20 0.31
UBE2N P61088 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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 SCHEMBL6792665 1.00 MAPKAPK2 (0.40) MAPKAPK2KCNH2MLYCDPIK3CDPIK3R2
Trifluoroacetic Acid SCHEMBL6794988 0.94 MAPKAPK2 (0.33) MAPKAPK2KCNH2MLYCDRAD52UBE2N
Trifluoroacetic Acid SCHEMBL6794996 0.94 MAPKAPK2 (0.33) MAPKAPK2KCNH2MLYCDRAD52UBE2N
Trifluoroacetic Acid SCHEMBL6795303 0.92 KCNH2 (0.37) MAPKAPK2KCNH2CCNA2CDK2PARP1
Trifluoroacetic Acid SCHEMBL6795299 0.92 KCNH2 (0.37) MAPKAPK2KCNH2CCNA2CDK2PARP1
Trifluoroacetic Acid SCHEMBL4255917 0.87 MAPKAPK2 (0.30) MAPKAPK2CDK2JAK2JAK3
Trifluoroacetic Acid SCHEMBL4255911 0.87 MAPKAPK2 (0.30) MAPKAPK2CDK2JAK2JAK3
Trifluoroacetic Acid SCHEMBL4256992 0.87 MAPKAPK2 (0.36) MAPKAPK2CCNA2CDK2JAK2JAK3
Trifluoroacetic Acid SCHEMBL4256994 0.87 MAPKAPK2 (0.36) MAPKAPK2CCNA2CDK2JAK2JAK3
SCHEMBL6791723 0.85 SRD5A1 (0.34) MAPKAPK2CDK2L3MBTL1JAK2JAK3

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 MAPKAPK2 2/4885KCNH2 1118/4885MLYCD 1342/4885

“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.