Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793243

N#Cc1cccc(-c2cc3c(cn2)CCc2c-3nn(CCCN)c2C(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
CDK2 P24941 1/20 0.36
KCNK3 O14649 16/20 0.36
F11 P03951 2/20 0.35
KLKB1 P03952 1/20 0.35
PRKDC P78527 1/20 0.34
ATR Q13535 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
SCHEMBL6793246 0.89 KCNK3 (0.36) PDPK1CDK2KCNK3
Trifluoroacetic Acid SCHEMBL1658162 0.88 KCNK3 (0.37) KCNK3F11
Trifluoroacetic Acid SCHEMBL6794531 0.88 KMO (0.39) PDPK1CDK2KCNK3
Trifluoroacetic Acid SCHEMBL4267655 0.86 CDK2 (0.38) PDPK1CDK2KCNK3
Trifluoroacetic Acid SCHEMBL4264447 0.86 CDK2 (0.37) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL4266548 0.85 GABRA1 (0.40) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6794711 0.85 NPC1 (0.39) PDPK1CDK2KLKB1PRKDCATR
Trifluoroacetic Acid SCHEMBL4444665 0.85 CDK2 (0.41) PDPK1CDK2PRKDC
Trifluoroacetic Acid SCHEMBL4260275 0.85 CDK2 (0.38) PDPK1CDK2KCNK3
Trifluoroacetic Acid SCHEMBL1658124 0.84 CDK2 (0.37) PDPK1CDK2

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 PDPK1 87/4885CDK2 29/4885KCNK3 512/4885

“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.