Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5719504

Cn1c(=O)c2c(nc(N3CCNCC3)n2-c2ccccc2Cl)n(CC(N)=O)c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.39
NUDT5 Q9UKK9 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 SCHEMBL5719312 0.94 DPP4 (0.50) DPP4L3MBTL1ALDH1A1POLBLMNA
Trifluoroacetic Acid SCHEMBL5718920 0.94 DPP4 (0.51) DPP4L3MBTL1ALDH1A1NUDT5HIF1A
Trifluoroacetic Acid SCHEMBL5719127 0.91 DPP4 (0.49) DPP4L3MBTL1ALDH1A1POLBNUDT5
Trifluoroacetic Acid SCHEMBL5719464 0.89 DPP4 (0.42) DPP4L3MBTL1ALDH1A1HIF1ALMNA
Trifluoroacetic Acid SCHEMBL5719367 0.88 DPP4 (0.45) DPP4L3MBTL1ALDH1A1POLBHIF1A
SCHEMBL5792563 0.88 DPP4 (0.56) DPP4L3MBTL1ALDH1A1NUDT5HIF1A
SCHEMBL5774800 0.87 DPP4 (0.50) DPP4L3MBTL1ALDH1A1NUDT5HIF1A
Trifluoroacetic Acid SCHEMBL5718945 0.85 DPP4 (0.47) DPP4L3MBTL1ALDH1A1POLBGAA
SCHEMBL6380827 0.85 L3MBTL1 (0.48) DPP4L3MBTL1ALDH1A1POLBHIF1A
Trifluoroacetic Acid SCHEMBL5719389 0.85 ALDH1A1 (0.50) DPP4L3MBTL1ALDH1A1HIF1ALMNA

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 6 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
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 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 (2 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 1/4885L3MBTL1 1200/4885ALDH1A1 112/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885L3MBTL1 4196/4885ALDH1A1 3230/4885

“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.