SCHEMBL260788

SCHEMBL260788

O=[N+]([O-])c1ccc(CO)c(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
TSHR P16473 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
PTPRC P08575 1/20 0.44
S100A4 P26447 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
SCHEMBL29367937 1.00 CYP1A2 (0.51) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL16950838 0.90 POLB (0.52) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL5129064 0.89 TSHR (0.55) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL30068941 0.89 TSHR (0.55) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL6291402 0.89 TSHR (0.55) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL38665418 0.89 CYP1A2 (0.46) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL31536502 0.89 LOXL2 (0.48) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL679942 0.86 PTPRC (0.52) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL29449526 0.86 PTPRC (0.52) CYP1A2TSHRALDH1A1GPR35TP53
SCHEMBL25287818 0.86 GSK3B (0.45) CYP1A2TSHRALDH1A1GPR35TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282748-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-09-11 US disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-11884714-B2 Cyclic peptide analogs of melanocortin and amanitin and methods of making such THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-01-30 US disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
US-20230024752-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
US-20230024752-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
US-20220298219-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-09-22 US disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 US disclosed
WO-2007061677-A2 SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2006031610-A2 BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006031491-A2 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006031513-A2 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006029153-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-16 WO disclosed
EP-1349856-B1 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
EP-1349856-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6482951-B2 ISOINDOLIN-1-ONE-SUBSTITUTED PROPIONAMIDE GLUCOKINASE ACTIVATORS WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-20020082260-A1 Isoindolin-1-one glucokinase activators GUERTIN KEVIN RICHARD (US) 2002-06-27 US disclosed
WO-2002048106-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA-ROCHE AG (CH) 2002-06-20 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 (7 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-11884714-B2 Cyclic peptide analogs of melanocortin and amanitin and methods of making such MC3R, MC5R, MC4R CYP1A2 4846/4885TSHR 945/4885ALDH1A1 4702/4885
US-20020082260-A1 Isoindolin-1-one glucokinase activators GCKR, GCK, PGK2 CYP1A2 1682/4885TSHR 3783/4885ALDH1A1 1838/4885
US-20220298219-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH MC3R, MC5R, MC4R CYP1A2 4846/4885TSHR 945/4885ALDH1A1 4702/4885
US-20250282748-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, VASP, PNPO CYP1A2 231/4885TSHR 3573/4885ALDH1A1 2345/4885
US-20230024752-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, VASP, PNPO CYP1A2 231/4885TSHR 3573/4885ALDH1A1 2345/4885
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 CYP1A2 396/4885TSHR 171/4885ALDH1A1 2923/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 CYP1A2 465/4885TSHR 304/4885ALDH1A1 1907/4885

“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.