SCHEMBL223175

SCHEMBL223175

CNc1cc(C(=O)OC)ccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.57
HCAR3 P49019 1/20 0.55
ALDH1A1 P00352 3/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.53
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
HTT P42858 1/20 0.50
AR P10275 1/20 0.49
PELP1 Q8IZL8 1/20 0.49
HPGD P15428 3/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.48
ERN1 O75460 1/20 0.47
CDC25B P30305 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL29557079 1.00 VCAM1 (0.57) VCAM1HCAR3ALDH1A1PKMLMNA
SCHEMBL1726941 0.88 HCAR3 (0.72) VCAM1HCAR3ALDH1A1PKMLMNA
SCHEMBL30288971 0.85 HCAR3 (0.50) VCAM1HCAR3ALDH1A1PKMLMNA
SCHEMBL2248072 0.85 KMT2A (0.64) HCAR3ALDH1A1PKMLMNAHPGD
SCHEMBL2248642 0.84 HCAR3 (0.77) HCAR3LMNAKMT2ACDC25B
SCHEMBL27111058 0.84 HCAR3 (0.58) HCAR3ALDH1A1AKR1C3AKR1C2HTT
SCHEMBL23450340 0.84 VCAM1 (0.53) VCAM1ALDH1A1PKMLMNAAKR1C4
SCHEMBL30370129 0.84 HCAR3 (0.58) VCAM1HCAR3ALDH1A1PKMLMNA
SCHEMBL25351095 0.84 HCAR3 (0.58) VCAM1HCAR3ALDH1A1PKMLMNA
SCHEMBL2019450 0.84 HCAR3 (0.58) VCAM1HCAR3ALDH1A1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12611401-B2 Combinations comprising benzodioxol as GLP-1R agonists for use in the treatment of NASH/NAFLD and related diseases PFIZER INC. (US) 2026-04-28 US disclosed
US-12595249-B2 Aryl ether-substituted heterocyclic compounds as glpir agonists MINDRANK AI LTD. (CN) 2026-04-07 US disclosed
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
US-12497384-B2 Aryl ether-substituted heterocyclic compounds as GLP1R agonists MINDRANK AI LTD. (CN) 2025-12-16 US disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-20250340544-A1 GLP-1 Receptor Agonists and Uses Thereof PFIZER INC. (US) 2025-11-06 US disclosed
US-20250304553-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2025-10-02 US disclosed
US-20250282757-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2025-09-11 US disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US 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 (12 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-12497384-B2 Aryl ether-substituted heterocyclic compounds as GLP1R agonists GLP1R, GIPR, GCGR VCAM1 2713/4885HCAR3 128/4885ALDH1A1 935/4885
US-12595249-B2 Aryl ether-substituted heterocyclic compounds as glpir agonists GLP1R, GIPR, GCGR VCAM1 2040/4885HCAR3 215/4885ALDH1A1 3094/4885
US-20250304553-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS GLP1R, GIPR, GCGR VCAM1 2891/4885HCAR3 122/4885ALDH1A1 1569/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB VCAM1 4224/4885HCAR3 1453/4885ALDH1A1 164/4885
US-20250340544-A1 GLP-1 Receptor Agonists and Uses Thereof GLP1R, GIPR, GCGR VCAM1 1577/4885HCAR3 112/4885ALDH1A1 907/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 VCAM1 529/4885HCAR3 2886/4885ALDH1A1 700/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK VCAM1 1421/4885HCAR3 2853/4885ALDH1A1 1520/4885
US-20250282757-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS GLP1R, GIPR, GCGR VCAM1 3119/4885HCAR3 108/4885ALDH1A1 1109/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 VCAM1 3938/4885HCAR3 4801/4885ALDH1A1 1822/4885
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X VCAM1 4540/4885HCAR3 1083/4885ALDH1A1 416/4885
US-12611401-B2 Combinations comprising benzodioxol as GLP-1R agonists for use in the treatment of NASH/NAFLD and related diseases GLP1R, GCKR, GPR119 VCAM1 1878/4885HCAR3 920/4885ALDH1A1 743/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 VCAM1 3938/4885HCAR3 4801/4885ALDH1A1 1822/4885

“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.