Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5718892

O=C(O)C(F)(F)F.O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2nc(N3CCNCC3)n(-c3ccccc3Cl)c12

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
ADRB1 P08588 1/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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 SCHEMBL5719005 0.96 DPP4 (0.44) DPP4ALDH1A1HSD17B10CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5791755 0.94 DPP4 (0.42) DPP4ALDH1A1HSD17B10CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5719064 0.92 DPP4 (0.40) DPP4ALDH1A1CNR1IRAK4ADRB1
Trifluoroacetic Acid SCHEMBL5718979 0.92 DPP4 (0.41) DPP4ALDH1A1HSD17B10CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5719566 0.91 DPP4 (0.42) DPP4ALDH1A1HSD17B10CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5719420 0.90 DPP4 (0.41) DPP4ALDH1A1HSD17B10LMNAIRAK4
Trifluoroacetic Acid SCHEMBL5719037 0.88 MTOR (0.39) DPP4ALDH1A1CYP1A2CYP3A4IRAK4
Trifluoroacetic Acid SCHEMBL5719494 0.87 DPP4 (0.58) DPP4ALDH1A1HSD17B10USP2LMNA
Trifluoroacetic Acid SCHEMBL5719155 0.86 DPP4 (0.39) DPP4ALDH1A1CYP1A2CYP3A4LMNA
Trifluoroacetic Acid SCHEMBL5719582 0.86 DPP4 (0.41) DPP4ALDH1A1HSD17B10CYP3A4CYP2C9

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 1/4885ALDH1A1 112/4885HSD17B10 499/4885

“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.