SCHEMBL2015730

SCHEMBL2015730

CC(C)(CO[N+](=O)[O-])C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 1/20 0.35
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ACLY P53396 1/20 0.31
TSHR P16473 2/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL13685884 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Methylpiperazine SCHEMBL9795539 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10157896 0.81 ALDH1A1 (0.48) ALDH1A1BCHEACHE
Silver SCHEMBL2232380 0.81 ALDH1A1 (0.48) ALDH1A1BCHEACHE
SCHEMBL4737789 0.81 ALDH1A1 (0.48) ALDH1A1BCHEACHE
SCHEMBL2010219 0.81 ALDH1A1 (0.48) ALDH1A1BCHEACHE
SCHEMBL2015296 0.79 ALDH1A1 (0.46) ALDH1A1BCHEACHECYP2C19
SCHEMBL9795445 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14163142 0.78 ALDH1A1 (0.45) ALDH1A1
SCHEMBL3862398 0.77 ALDH1A1 (0.54) ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111548482-B Nitric oxide donor modified copolymer, sustained-release preparation containing nitric oxide donor modified copolymer, and preparation method and application of nitric oxide donor modified copolymer 复旦大学 2022-09-13 CN claimed
CN-111548482-A Nitric oxide donor modified copolymer, sustained-release preparation containing nitric oxide donor modified copolymer, and preparation method and application of nitric oxide donor modified copolymer 复旦大学 2020-08-18 CN claimed
EP-4175943-B1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS BEIJING CO LTD (CN) 2026-02-11 EP disclosed
WO-2025091177-A1 FPR1 MODULATORS, COMPOSITIONS COMPRISING THE MODULATOR, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2025-05-08 WO disclosed
US-11987556-B2 Dual-functional compounds and methods of use BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2024-05-21 US disclosed
US-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2023-06-08 US disclosed
EP-4175943-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE Biofront Therapeutics (Beijing) Co., Ltd. (CN) 2023-05-10 EP disclosed
WO-2023005180-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2023-02-02 WO disclosed
CN-111548482-B Nitric oxide donor modified copolymer, sustained-release preparation containing nitric oxide donor modified copolymer, and preparation method and application of nitric oxide donor modified copolymer 复旦大学 2022-09-13 CN disclosed
WO-2022022669-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2022-02-03 WO disclosed
CN-113767104-A Bifunctional compounds and methods of use thereof 百放英库医药科技(北京)有限公司 2021-12-07 CN disclosed
EP-1673384-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-06-28 EP disclosed
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP disclosed
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use NITROMED, INC. (US) 2006-01-12 US disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 WO disclosed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP disclosed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 US disclosed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 WO disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
EP-0366004-A1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof Roche Diagnostics GmbH (DE) 1990-05-02 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 (4 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-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use TBXA2R, TXNRD3, NOS3 ALDH1A1 339/4885CYP2C9 1457/4885BCHE 4703/4885
US-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE PDE1A, PDE3B, PDE1B ALDH1A1 471/4885CYP2C9 980/4885BCHE 113/4885
US-11987556-B2 Dual-functional compounds and methods of use PDE1A, PDE3B, PDE1B ALDH1A1 471/4885CYP2C9 980/4885BCHE 113/4885
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NOS1, NOS2, NOS3 ALDH1A1 507/4885CYP2C9 439/4885BCHE 3972/4885

“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.