SCHEMBL2616111

SCHEMBL2616111

CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.55
CES1 P23141 2/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL9987234 0.84 TDP1 (0.61) MAPK1POLBCES1KMT2AMEN1
SCHEMBL12239770 0.83 POLB (0.50) MAPK1POLBCES1KMT2AMEN1
SCHEMBL15058771 0.83 PPARG (0.50) MAPK1POLBCES1KMT2AMEN1
SCHEMBL17203013 0.83 KMT2A (0.55) MAPK1KMT2AMEN1NR1H4ALDH1A1
SCHEMBL109451 0.82 CA1 (0.61) MAPK1CA1CA2TDP1ALDH1A1
SCHEMBL8137824 0.82 SMN1; SMN2 (0.52) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL31270988 0.82 ALOX5 (0.53) CES1KMT2AMEN1TDP1ALDH1A1
SCHEMBL12546685 0.81 ALDH1A1 (0.45) MAPK1POLBCES1KMT2AMEN1
SCHEMBL8110956 0.81 POLB (0.49) MAPK1POLBKMT2AMEN1CA1
SCHEMBL294244 0.80 MAPK1 (0.50) MAPK1POLBCES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117295729-A Carboxy-benzimidazole GLP-1R modulating compounds 吉利德科学公司 2023-12-26 CN disclosed
CN-117279905-A Carboxy-benzimidazole GLP-1R modulating compounds 吉利德科学公司 2023-12-22 CN disclosed
CN-116847885-A Dual cleavage ester linkers for antibody-drug conjugates R.P.谢勒技术有限责任公司 2023-10-03 CN disclosed
CN-116547270-A 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure 阿斯利康(瑞典)有限公司 2023-08-04 CN disclosed
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed
US-20120094963-A1 TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES of Queen Elizabeth near Dublin 2012-04-19 US disclosed
US-20120094963-A1 TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES of Queen Elizabeth near Dublin 2012-04-19 US disclosed
WO-2010072734-A2 TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES THE PROVOST FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2010-07-01 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
US-7357291-B2 Solder metal, soldering flux and solder paste SHOWA DENKO K.K. (JP) 2008-04-15 US disclosed
US-6881278-B2 Flux for solder paste SHOWA DENKO K.K. (JP) 2005-04-19 US disclosed
EP-1367046-A9 Disubstituted lavendustin A analogs and pharmaceutical compositions comprising the analogs THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-05-12 EP disclosed
EP-1367046-A1 Disubstituted lavendustin A analogs and pharmaceutical compositions comprising the analogs THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-12-03 EP disclosed
US-20030200836-A1 Flux for solder paste SHOWA DENKO K.K. 2003-10-30 US disclosed
US-20020046627-A1 Solder powder, flux, solder paste, soldering method, soldered circuit board, and soldered joint product SHOWA DENKO K.K. (JP) 2002-04-25 US disclosed
US-20010042779-A1 Solder paste SHOWA DENKO KABUSHIKI KAISHA (JP) 2001-11-22 US disclosed
EP-1060160-A2 DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-12-20 EP disclosed
WO-1999043636-A2 DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THESECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-02 WO disclosed
CN-1175259-A Low molecular weight bicyclic thrombin inhibitors IAF BIOCHEM INT (CA) 1998-03-04 CN disclosed
US-4219482-A Process for preparing thiophene and furan derivatives LABAZ (FR) 1980-08-26 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 (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-20120094963-A1 TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES PTGS2, SI, PTGS1 MAPK1 1956/4885POLB 2806/4885CES1 87/4885

“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.