Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5718985

CC(C)=CCn1c(N2CCNCC2)nc2c1c(=O)n(CC(=O)c1cccnc1)c(=O)n2C.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.59
CHRM1 P11229 2/20 0.57
CHRM2 P08172 1/20 0.57
CHRM3 P20309 1/20 0.57
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46

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 SCHEMBL5719137 0.92 DPP4 (0.66) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL555644 0.88 DPP4 (0.71) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL5719462 0.87 DPP4 (0.60) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL5719515 0.86 DPP4 (0.60) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL5718865 0.86 DPP4 (0.59) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL5718799 0.86 DPP4 (0.59) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL5719440 0.86 DPP4 (0.59) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL5719079 0.86 DPP4 (0.74) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL6688447 0.85 DPP4 (0.71) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL5719052 0.85 DPP4 (0.71) DPP4CHRM1CHRM2CHRM3KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP disclosed

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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 DPP4 1/4885CHRM1 669/4885CHRM2 1196/4885

“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.