Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5718945

NC(=O)Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2-c1ccccc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 2/20 0.39
SIRT5 Q9NXA8 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL5789315 0.94 DPP4 (0.50) DPP4TSHRALDH1A1TP53SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5719531 0.93 DPP4 (0.49) DPP4TSHRALDH1A1POLBSIRT5
Trifluoroacetic Acid SCHEMBL5719156 0.91 DPP4 (0.56) DPP4TSHRALDH1A1POLBSIRT5
Trifluoroacetic Acid SCHEMBL5718846 0.90 DPP4 (0.51) DPP4TSHRALDH1A1TP53ALOX15
Trifluoroacetic Acid SCHEMBL5719658 0.90 DPP4 (0.47) DPP4TSHRALDH1A1POLBSIRT5
Trifluoroacetic Acid SCHEMBL5719220 0.89 DPP4 (0.50) DPP4TSHRALDH1A1POLBSIRT5
Trifluoroacetic Acid SCHEMBL5718959 0.89 DPP4 (0.50) DPP4TSHRALDH1A1SMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL5718873 0.89 DPP4 (0.51) DPP4TSHRALDH1A1TP53ALOX15
Trifluoroacetic Acid SCHEMBL5719533 0.88 DPP4 (0.43) DPP4TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL5792179 0.88 DPP4 (0.53) DPP4TSHRALDH1A1ALOX15POLB

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 1/4885TSHR 2113/4885ALDH1A1 112/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885TSHR 936/4885ALDH1A1 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.