Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6794531

NCCCn1nc2c(c1C(=O)O)CCc1cnc(-c3cccc(C(F)(F)F)c3)cc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
CDK2 P24941 2/20 0.38
CCNA2 P20248 1/20 0.38
PLK1 P53350 1/20 0.38
CCNA1 P78396 1/20 0.38
PDPK1 O15530 1/20 0.38
KCNK3 O14649 4/20 0.37
S1PR1 P21453 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
DHODH Q02127 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
MPL P40238 1/20 0.34
HDAC1 Q13547 1/20 0.34

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 SCHEMBL4260275 0.92 CDK2 (0.38) CDK2CCNA2PLK1CCNA1PDPK1
SCHEMBL6794533 0.88 CDK2 (0.37) KMOCDK2CCNA2PLK1CCNA1
Trifluoroacetic Acid SCHEMBL4267655 0.88 CDK2 (0.38) CDK2CCNA2PLK1CCNA1PDPK1
Trifluoroacetic Acid SCHEMBL6793243 0.88 PDPK1 (0.36) CDK2PDPK1KCNK3
Trifluoroacetic Acid SCHEMBL1655968 0.88 MPL (0.39) CDK2CCNA2PLK1CCNA1PDPK1
Trifluoroacetic Acid SCHEMBL4264447 0.88 CDK2 (0.37) KMOCDK2CCNA2PLK1CCNA1
Trifluoroacetic Acid SCHEMBL4266548 0.88 GABRA1 (0.40) CDK2CCNA2PLK1CCNA1PDPK1
Trifluoroacetic Acid SCHEMBL6794711 0.88 NPC1 (0.39) CDK2CCNA2PLK1CCNA1PDPK1
Trifluoroacetic Acid SCHEMBL4444665 0.87 CDK2 (0.41) CDK2CCNA2PLK1CCNA1PDPK1
Trifluoroacetic Acid SCHEMBL1655235 0.87 CDK2 (0.37) CDK2CCNA2PLK1CCNA1PDPK1

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 KMO 595/4885CDK2 29/4885CCNA2 270/4885

“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.