Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL5719655

COC(C)=O.O=C(On1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2-c1ccccc1Cl)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.40
POLB P06746 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRB1 P08588 1/20 0.34
TSHR P16473 3/20 0.34
HTT P42858 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32

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
Acetic Acid SCHEMBL5719524 0.95 DPP4 (0.43) DPP4POLBSIRT5L3MBTL1GAA
SCHEMBL5719535 0.87 DPP4 (0.40) DPP4POLBSIRT5L3MBTL1GAA
Acetic Acid Methyl Ester SCHEMBL5719126 0.87 DPP4 (0.46) DPP4L3MBTL1ALDH1A1TDP1ADRB1
Acetic Acid Methyl Ester SCHEMBL5719508 0.82 DPP4 (0.41) DPP4L3MBTL1GAAALDH1A1MEN1
Acetic Acid SCHEMBL5718916 0.82 DPP4 (0.47) DPP4L3MBTL1ALDH1A1TDP1ADRB1
Trifluoroacetic Acid SCHEMBL5719494 0.81 DPP4 (0.58) DPP4POLBSIRT5L3MBTL1GAA
Trifluoroacetic Acid SCHEMBL5719658 0.80 DPP4 (0.47) DPP4POLBSIRT5L3MBTL1GAA
SCHEMBL5772367 0.80 DPP4 (0.45) DPP4POLBSIRT5L3MBTL1GAA
SCHEMBL5718965 0.80 DPP4 (0.47) DPP4POLBSIRT5L3MBTL1GAA
SCHEMBL5718838 0.80 DPP4 (0.45) DPP4POLBSIRT5L3MBTL1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885POLB 3415/4885SIRT5 1551/4885

“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.