Ethyl Acetate

Ethyl Acetate

SCHEMBL5483783

CCOC(C)=O.Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NO)cc1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.79
MT-CO2 P00403 3/20 0.79
NR4A2 P43354 1/20 0.69
PTGS1 P23219 4/20 0.59
LMNA P02545 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA3 P07451 1/20 0.58
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2B P18089 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
SLC6A2 P23975 1/20 0.58
PDE4A P27815 1/20 0.58
ADORA1 P30542 1/20 0.58

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
SCHEMBL5481289 0.89 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1LMNA
Water SCHEMBL5477391 0.88 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1LMNA
SCHEMBL5142318 0.84 PTGS2 (0.80) PTGS2MT-CO2NR4A2PTGS1LMNA
Dioxane SCHEMBL5472966 0.83 PTGS2 (0.88) PTGS2MT-CO2NR4A2PTGS1LMNA
SCHEMBL5069873 0.82 PTGS2 (0.77) PTGS2MT-CO2NR4A2PTGS1LMNA
SCHEMBL5073588 0.82 PTGS2 (0.81) PTGS2MT-CO2NR4A2PTGS1LMNA
SCHEMBL5472959 0.81 PTGS2 (0.84) PTGS2MT-CO2NR4A2PTGS1LMNA
Parecoxib SCHEMBL9529 0.81 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1LMNA
SCHEMBL28646416 0.81 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1LMNA
Parecoxib SCHEMBL29561416 0.81 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1LMNA

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
US-20070093539-A1 N-hydroxy-4-(3-pheyl-5-methyl-isoxazole-4-yl)-benzenesulfonate solvates RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-26 US disclosed
EP-1643992-A2 NEW N-HYDROXY-4-(3-PHENYL-5-METHYL-ISOXAZOLE-4-YL)-BENZENESULFONAMIDE SOLVATES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2006-04-12 EP disclosed
WO-2005007620-A2 NEW N-HYDROXY-4-(3-PHENYL-5-METHYL-ISOXAZOLE-4-YL)-BENZENESULFONAMIDE SOLVATES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2005-01-27 WO 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-20070093539-A1 N-hydroxy-4-(3-pheyl-5-methyl-isoxazole-4-yl)-benzenesulfonate solvates ADH1A, ADH1C, ADH5 PTGS2 154/4885MT-CO2 1354/4885NR4A2 1224/4885

“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.