Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5719658

COC(=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
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
SIRT5 Q9NXA8 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 3/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 3/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 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 SCHEMBL5719531 0.91 DPP4 (0.49) DPP4MEN1KMT2ANPSR1POLB
Trifluoroacetic Acid SCHEMBL5718945 0.90 DPP4 (0.47) DPP4MEN1KMT2ANPSR1POLB
Trifluoroacetic Acid SCHEMBL5718846 0.90 DPP4 (0.51) DPP4MEN1KMT2ANPSR1POLB
SCHEMBL5772367 0.89 DPP4 (0.45) DPP4MEN1KMT2ANPSR1POLB
Trifluoroacetic Acid SCHEMBL5719156 0.89 DPP4 (0.56) DPP4MEN1KMT2ANPSR1POLB
Trifluoroacetic Acid SCHEMBL5718873 0.88 DPP4 (0.51) DPP4MEN1KMT2ANPSR1POLB
Trifluoroacetic Acid SCHEMBL5719220 0.87 DPP4 (0.50) DPP4MEN1KMT2ANPSR1POLB
Trifluoroacetic Acid SCHEMBL5718959 0.87 DPP4 (0.50) DPP4MEN1KMT2ANPSR1POLB
Trifluoroacetic Acid SCHEMBL5719127 0.87 DPP4 (0.49) DPP4MEN1KMT2ANPSR1CYP2C9
Trifluoroacetic Acid SCHEMBL5789025 0.87 DPP4 (0.48) DPP4MEN1KMT2ANPSR1POLB

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 1/4885MEN1 3419/4885KMT2A 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.