SCHEMBL2545948

SCHEMBL2545948

CCOP(=O)(O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.73
CES1 P23141 1/20 0.73
CA1 P00915 2/20 0.72
CA2 P00918 2/20 0.72
BCHE P06276 1/20 0.72
ACHE P22303 1/20 0.72
ALDH1A1 P00352 3/20 0.66
MAPK1 P28482 3/20 0.66
CYP3A4 P08684 2/20 0.66
HSD17B10 Q99714 2/20 0.66
TSHR P16473 1/20 0.66
AKR1C3 P42330 1/20 0.54
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL4430882 0.87 CES2 (0.67) CES2CES1CA1CA2BCHE
SCHEMBL223704 0.85 CES1 (1.00) CES2CES1CA1CA2BCHE
SCHEMBL6259754 0.84 CA1 (0.94) CES2CES1CA1CA2BCHE
Paraoxon SCHEMBL26405 0.84 CA1 (1.00) CES2CES1CA1CA2BCHE
Paraoxon SCHEMBL21114409 0.84 CA1 (1.00) CES2CES1CA1CA2BCHE
SCHEMBL11588711 0.83 CES1 (0.96) CES2CES1CA1CA2BCHE
SCHEMBL11588705 0.83 CES1 (0.96) CES2CES1CA1CA2BCHE
Bromide SCHEMBL11420868 0.83 CES1 (0.96) CES2CES1CA1CA2BCHE
Water SCHEMBL9045475 0.83 CES1 (0.96) CES2CES1CA1CA2BCHE
SCHEMBL3860441 0.83 ALDH1A1 (0.73) CES2CES1CA1CA2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE Anhui Newstar Pharmaceutical Development Co., Ltd. (CN) 2022-09-08 US disclosed
US-20210107942-A1 TISSUE PROTECTIVE PEPTIDES AND PEPTIDE ANALOGS FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS INC (US) 2021-04-15 US disclosed
WO-2021024141-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE LI XIAOXIANG (CN) 2021-02-11 WO disclosed
US-10864253-B2 Tissue protective peptides for preventing and treating diseases and disorders associated with tissue damage ARAIM PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200360476-A1 TISSUE PROTECTIVE PEPTIDES AND PEPTIDE ANALOGS FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. 2020-11-19 US disclosed
US-20190134156-A1 TISSUE PROTECTIVE PEPTIDES FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. 2019-05-09 US disclosed
WO-2017189988-A1 TISSUE PROTECTIVE PEPTIDES FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. (US) 2017-11-02 WO disclosed
US-20170232066-A1 TISSUE PROTECTIVE PEPTIDES AND PEPTIDE ANALOGS FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. 2017-08-17 US disclosed
US-9580465-B2 Tissue protective peptides and peptide analogs for preventing and treating diseases and disorders associated with tissue damage ARAIM PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20160168199-A1 TISSUE PROTECTIVE PEPTIDES AND PEPTIDE ANALOGS FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. 2016-06-16 US disclosed
US-8853358-B2 Tissue protective peptides and peptide analogs for preventing and treating diseases and disorders associated with tissue damage ARAIM PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20110263504-A1 TISSUE PROTECTIVE PEPTIDES AND PEPTIDE ANALOGS FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. 2011-10-27 US disclosed
CN-102066413-A Tissue protective peptides and peptide analogs for the prevention and treatment of diseases and disorders associated with tissue damage ARAIM PHARMACEUTICALS INC 2011-05-18 CN disclosed
EP-2245056-A2 TISSUE PROTECTIVE PEPTIDES AND PEPTIDE ANALOGS FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE Araim Pharmaceuticals, Inc. (US) 2010-11-03 EP disclosed
WO-2009094172-A2 TISSUE PROTECTIVE PEPTIDES AND PEPTIDE ANALOGS FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
US-6765104-B1 Transition metal complexes of n, n',n″trialkyl-cis-1,3,5-triaminocyclohexane and related compositions and methods of synthesis and use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-07-20 US disclosed
WO-2001010870-A1 TRANSITION METAL COMPLEXES OF N,N',N'-TRIALKYL- CIS,CIS-1,3,5-TRIAMINOCYCLOHEXANE AND RELATED COMPOSITIONS AND METHODS OF SYNTHESIS AND USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-02-15 WO disclosed
EP-0777485-A4 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF UNIV TEMPLE (US) 1998-12-02 EP disclosed
EP-0777485-A1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 1997-06-11 EP disclosed
WO-1996008256-A1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1996-03-21 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 (1 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-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R CES2 3550/4885CES1 1220/4885CA1 3065/4885

“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.