Sugi Predict

Sugi Predict / Compounds / SCHEMBL3468592

SCHEMBL3468592

SCHEMBL3468592

CC(=O)OCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.56
▸ BCL9 O00512 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 4/20 0.49
▸ MGLL Q99685 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL30967403 0.98 HTR2A (0.55) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL4433836 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL5762656 0.87 BCL9 (0.60) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL29189078 0.86 BCL9 (0.59) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL15548469 0.86 BCL9 (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL5764186 0.85 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL15604041 0.85 BCL9 (0.54) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL6388615 0.84 HTR2A (0.48) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL25863 0.84 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL30967400 0.84 HTR2A (0.60) HTR2ABCL9CTNNB1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860999-B1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-06-05 — — EP disclosed
US-20240101584-A1 TARGETED DELIVERY OF 1,2,4,5 TETRAOXANE COMPOUNDS AND THEIR USES Westlake University (CN) 2024-03-28 — — US disclosed
US-11618731-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-04-04 — — US disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 — — EP disclosed
US-11180500-B2 Derivatives of relebactam and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2021-11-23 — — US disclosed
EP-3860999-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF Arixa Pharmaceuticals, Inc. (US) 2021-08-11 — — EP disclosed
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-01 — — US disclosed
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 — — US disclosed
WO-2020072442-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2020-04-09 — — WO disclosed
US-20200102307-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2020-04-02 — — US disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 — — US disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 — — EP disclosed
WO-1997023499-A1 PRODRUGS OF THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-07-03 — — WO disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 — — US disclosed
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 — — US disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 — — US disclosed
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 — — US disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 — — EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 — — US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 — — 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 (6 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-20240101584-A1 TARGETED DELIVERY OF 1,2,4,5 TETRAOXANE COMPOUNDS AND THEIR USES AIFM2, GPX1, GPX4 HTR2A 2591/4885BCL9 572/4885CTNNB1 2761/4885
US-20200102307-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF NRDC, MRPL19, MRPL12 HTR2A 4282/4885BCL9 275/4885CTNNB1 394/4885
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 HTR2A 3658/4885BCL9 3154/4885CTNNB1 4201/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 HTR2A 3658/4885BCL9 3154/4885CTNNB1 4201/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 HTR2A 3658/4885BCL9 3154/4885CTNNB1 4201/4885
US-11180500-B2 Derivatives of relebactam and uses thereof NRDC, MRPL19, MRPL12 HTR2A 4282/4885BCL9 275/4885CTNNB1 394/4885

“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.