Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6794465

NCCCn1nc2c(c1C(=O)O)CCc1c-2ccnc1-c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
CDK2 P24941 1/20 0.37
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MERTK Q12866 3/20 0.33
PTGIR P43119 1/20 0.32
CPB2 Q96IY4 1/20 0.32
CDC7 O00311 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
RORC P51449 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
SCHEMBL6794469 0.87 PDPK1 (0.35) PDPK1CDK2KDM4ETSHRHSD17B10
Trifluoroacetic Acid SCHEMBL6792839 0.87 PDPK1 (0.34) PDPK1CDK2HRH4HRH3RORC
Trifluoroacetic Acid SCHEMBL6792579 0.84 PDPK1 (0.33) PDPK1CDK2HRH4HRH3
Trifluoroacetic Acid SCHEMBL4270462 0.81 CDK2 (0.41) PDPK1CDK2CPB2HRH4HRH3
Trifluoroacetic Acid SCHEMBL6794531 0.77 KMO (0.39) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL4444665 0.77 CDK2 (0.41) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6791711 0.76 BRAF (0.38) PDPK1CDK2HRH4HRH3
Trifluoroacetic Acid SCHEMBL6792278 0.76 RORC (0.36) PDPK1CDK2HRH4HRH3RORC
Trifluoroacetic Acid SCHEMBL4263044 0.76 CDK2 (0.40) PDPK1CDK2TSHRRORC
Trifluoroacetic Acid SCHEMBL6792875 0.76 GABRA1 (0.34) PDPK1CDK2RORC

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 29/4885KDM4E 2167/4885

“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.