Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5718971

C=C(C)Cn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.47
HIF1A Q16665 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 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 SCHEMBL5718994 0.86 DPP4 (0.66) DPP4SMN1; SMN2KMT2AHTT
Trifluoroacetic Acid SCHEMBL5719463 0.85 DPP4 (0.85) DPP4SMN1; SMN2KMT2AHTTL3MBTL1
SCHEMBL5073444 0.84 DPP4 (0.72) DPP4SMN1; SMN2KMT2AHTTL3MBTL1
SCHEMBL556373 0.83 DPP4 (0.71) DPP4SMN1; SMN2KMT2AHTTL3MBTL1
Trifluoroacetic Acid SCHEMBL5719501 0.83 DPP4 (0.64) DPP4SMN1; SMN2KMT2AHTTL3MBTL1
Trifluoroacetic Acid SCHEMBL5718941 0.80 DPP4 (0.58) DPP4SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL556418 0.80 DPP4 (0.72) DPP4SMN1; SMN2KMT2AHTTL3MBTL1
SCHEMBL556188 0.80 DPP4 (0.72) DPP4SMN1; SMN2KMT2AHTTL3MBTL1
SCHEMBL556189 0.80 DPP4 (0.72) DPP4SMN1; SMN2KMT2AHTTL3MBTL1
Trifluoroacetic Acid SCHEMBL5719079 0.80 DPP4 (0.74) DPP4SMN1; SMN2KMT2AALDH1A1LMNA

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 1/4885SMN1; SMN2 3959/4885KMT2A 2570/4885

“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.