SCHEMBL839776

SCHEMBL839776

COC(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.83
ALDH1A1 P00352 8/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL3971667 0.95 PTGS2 (0.77) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL830784 0.94 PTGS2 (0.75) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL8485548 0.87 PTGS2 (0.65) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL831162 0.86 PTGS2 (0.65) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL11605368 0.85 PTPN7 (0.69) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL8832017 0.84 GAA (0.66) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL656776 0.84 PTGS2 (0.66) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL3026910 0.84 PTGS2 (0.62) PTGS2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2116437 0.84 PTGS2 (0.66) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL8060294 0.83 PTGS2 (0.61) PTGS2ALDH1A1MAPTPOLBKMT2A

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110278-B2 Selective JAK2 pseudokinase ligands and methods of use YALE UNIVERSITY (US) 2024-10-08 US disclosed
US-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use YALE UNIVERSITY 2022-04-14 US disclosed
US-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use YALE UNIVERSITY 2022-04-14 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-8802892-B2 Functionalized phenolic compounds and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-08-12 US disclosed
US-8802892-B2 Functionalized phenolic compounds and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-08-12 US disclosed
EP-2298235-B1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL LLC (US) 2013-11-06 EP disclosed
CN-1157288-A Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-08-20 CN disclosed
CN-1148492-A Treatment for arteriosclerosis and vitiligoidea SANKYO CO (JP) 1997-04-30 CN disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0753298-A1 Synergistic combination comprising an insulin sensitizer and a HMG-CoA reductase inhibitor for treating arteriosclerosis SANKYO COMPANY LIMITED (JP) 1997-01-15 EP disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
WO-1996020173-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1996-07-04 WO disclosed
EP-0718287-A2 Piperazine derivatives, medicaments containing them, their use, and processes for their preparation Dr. Karl Thomae GmbH (DE) 1996-06-26 EP disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 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 (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-12110278-B2 Selective JAK2 pseudokinase ligands and methods of use JAK2, JAK1, MCL1 PTGS2 341/4885ALDH1A1 3690/4885MAPT 4871/4885
US-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use JAK2, JAK1, MCL1 PTGS2 341/4885ALDH1A1 3690/4885MAPT 4871/4885

“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.