Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5719155

N#Cc1cccc(-n2c(=O)[nH]c(=O)c3c2nc(N2CCNCC2)n3-c2ccccc2Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
ALDH1A1 P00352 1/20 0.36
DRD4 P21917 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOTUM Q6P988 1/20 0.34
POLB P06746 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
BACE1 P56817 1/20 0.33
CHRM4 P08173 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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 SCHEMBL5719064 0.92 DPP4 (0.40) DPP4DRD2DRD3ALDH1A1DRD4
Trifluoroacetic Acid SCHEMBL5718979 0.91 DPP4 (0.41) DPP4ALDH1A1IRAK4KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5719005 0.91 DPP4 (0.44) DPP4ALDH1A1IRAK4KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5719582 0.88 DPP4 (0.41) DPP4ALDH1A1KMT2ASMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL5718892 0.86 DPP4 (0.42) DPP4ALDH1A1IRAK4KMT2APOLB
Trifluoroacetic Acid SCHEMBL5719244 0.86 DPP4 (0.39) DPP4ALDH1A1IRAK4KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5791755 0.86 DPP4 (0.42) DPP4ALDH1A1IRAK4KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5719037 0.85 MTOR (0.39) DPP4ALDH1A1IRAK4KMT2APOLB
Trifluoroacetic Acid SCHEMBL5719566 0.83 DPP4 (0.42) DPP4ALDH1A1SMN1; SMN2LMNATP53
Trifluoroacetic Acid SCHEMBL5718984 0.83 DPP4 (0.47) DPP4ALDH1A1IRAK4KMT2APOLB

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 1/4885DRD2 232/4885DRD3 262/4885

“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.