Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5719313

CCOC(=O)CCCn1c(=O)c2c(nc(N3CCNCC3)n2CC=C(C)C)n(C)c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.60
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TNF P01375 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.47
CHRM1 P11229 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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 SCHEMBL5719022 0.95 DPP4 (0.62) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5791758 0.93 DPP4 (0.65) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5719180 0.90 DPP4 (0.66) DPP4LMNAALDH1A1MAPK1CHRM1
Trifluoroacetic Acid SCHEMBL6689933 0.90 DPP4 (0.61) DPP4LMNAALDH1A1TSHRNPSR1
SCHEMBL5719183 0.88 DPP4 (0.63) DPP4LMNAALDH1A1MAPK1CHRM1
Trifluoroacetic Acid SCHEMBL5718870 0.88 DPP4 (0.69) DPP4LMNAALDH1A1MAPK1CHRM1
Trifluoroacetic Acid SCHEMBL5719079 0.88 DPP4 (0.74) DPP4LMNAALDH1A1MAPK1CHRM1
Trifluoroacetic Acid SCHEMBL5719028 0.87 DPP4 (0.71) DPP4LMNAALDH1A1MAPK1CHRM1
Trifluoroacetic Acid SCHEMBL5719150 0.87 DPP4 (0.60) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5718789 0.86 DPP4 (0.69) DPP4LMNAALDH1A1MAPK1CHRM1

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 1/4885LMNA 4075/4885ALDH1A1 112/4885

“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.