SCHEMBL2233659

SCHEMBL2233659

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
GAA P10253 2/20 0.51
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 4/20 0.44
PKM P14618 1/20 0.44
MGLL Q99685 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL2406332 0.93 HTR2A (0.49) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL15459741 0.90 HTR2A (0.53) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL2235530 0.87 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL7989561 0.87 HTR2A (0.53) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL2233848 0.86 HTR2A (0.50) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL1036489 0.85 HTR2A (0.52) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL23202970 0.85 HTR2A (0.49) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL8605685 0.85 HTR2A (0.49) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL23203128 0.85 HTR2A (0.49) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL2235137 0.85 BCL9 (0.56) HTR2AGAABCL9CTNNB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP claimed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 US claimed
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-15 US claimed
EP-1242059-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-09-25 EP claimed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 WO claimed
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12116346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
EP-3860999-B9 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-08-14 EP disclosed
EP-0584694-A1 Imidazolidin derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-02 EP disclosed
EP-0465481-B1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN LEPETIT SPA (IT) 1993-11-18 EP disclosed
EP-0465481-A1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN. LEPETIT SPA (IT) 1992-01-15 EP disclosed
WO-1990011300-A1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN GRUPPO LEPETIT S.P.A. (IT) 1990-10-04 WO 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
EP-0381661-A1 1-E3-(2-hydroxy-3-alkylaminopropoxy)-2-thienyl]-3-phenyl-1-propanon and process for its preparation Laevosan-Gesellschaft m.b.H. (AT) 1990-08-08 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 (5 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-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 HTR2A 4272/4885GAA 385/4885BCL9 3406/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 HTR2A 4272/4885GAA 385/4885BCL9 3406/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 HTR2A 4272/4885GAA 385/4885BCL9 3406/4885
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 HTR2A 1877/4885GAA 1600/4885BCL9 2630/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 HTR2A 4272/4885GAA 385/4885BCL9 3406/4885

“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.