Ethyl Acetate

Ethyl Acetate

SCHEMBL1618946

CCOC(C)=O.NC1c2ccccc2C(=O)N1Cc1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
MDM2 Q00987 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 1/20 0.40

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 SCHEMBL1619100 0.89 MAPT (0.52) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1619206 0.84 MEN1 (0.55) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6234642 0.77 IDO1 (0.52) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1619448 0.77 MEN1 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1618944 0.74 MEN1 (0.61) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1619199 0.74 MAPT (0.48) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL27552546 0.72 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL27725675 0.71 MAPT (0.50) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6236827 0.70 HPGD (0.68) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL2025098 0.70 MEN1 (0.58) ALDH1A1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE BIAN HAIYAN 2009-08-13 US disclosed
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US disclosed
EP-1951706-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
WO-2007053662-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US 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 (2 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-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase GCK, GCKR, GPR119 ALDH1A1 1644/4885HPGD 723/4885MEN1 4197/4885
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE GCK, GCKR, GPR119 ALDH1A1 1711/4885HPGD 765/4885MEN1 4167/4885

“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.