Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL5719508

COC(C)=O.O=C(On1c(=O)n(CCc2ccccc2)c(=O)c2c1nc(N1CCNCC1)n2-c1ccccc1Cl)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 11/20 0.38
HSD17B10 Q99714 6/20 0.38
USP2 O75604 5/20 0.38
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 5/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 4/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 5/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX15 P16050 1/20 0.36
HTR3A P46098 1/20 0.36
HPGD P15428 4/20 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
Acetic Acid SCHEMBL5719451 0.96 DPP4 (0.43) DPP4L3MBTL1ALDH1A1HSD17B10USP2
SCHEMBL5719461 0.89 DPP4 (0.40) DPP4L3MBTL1ALDH1A1HSD17B10USP2
Acetic Acid Methyl Ester SCHEMBL5719126 0.88 DPP4 (0.46) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9
Acetic Acid SCHEMBL5718916 0.85 DPP4 (0.47) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL5719511 0.84 DPP4 (0.42) DPP4L3MBTL1ALDH1A1HSD17B10USP2
SCHEMBL5770482 0.84 DPP4 (0.42) DPP4L3MBTL1ALDH1A1HSD17B10USP2
Trifluoroacetic Acid SCHEMBL5719457 0.82 DPP4 (0.43) DPP4L3MBTL1ALDH1A1HSD17B10USP2
Acetic Acid Methyl Ester SCHEMBL5719655 0.82 DPP4 (0.40) DPP4L3MBTL1ALDH1A1HSD17B10USP2
SCHEMBL5776035 0.81 DPP4 (0.39) DPP4L3MBTL1ALDH1A1HSD17B10USP2
SCHEMBL5789358 0.81 DPP4 (0.60) DPP4L3MBTL1ALDH1A1USP2MAPT

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 1/4885L3MBTL1 1200/4885ALDH1A1 112/4885

“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.