SCHEMBL2530952

SCHEMBL2530952

C[N+](C)(C)CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
GSTK1 Q9Y2Q3 1/20 0.65
GLO1 Q04760 2/20 0.47
NOD1 Q9Y239 9/20 0.42
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 1/20 0.37
FOLH1 Q04609 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL2534816 1.00 PTGS1 (0.65) PTGS1GSTK1GLO1NOD1FNTA
Bromide SCHEMBL4250677 0.99 PTGS1 (0.64) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL1503471 0.89 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL10490007 0.89 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL6257074 0.89 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FNTA
Glutathione Ethyl Ester SCHEMBL680361 0.86 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1
Glutathione Ethyl Ester SCHEMBL9817298 0.86 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1
Glutathione Ethyl Ester SCHEMBL7530345 0.86 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1
SCHEMBL2532429 0.86 PTGS1 (0.53) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL12252220 0.86 PTGS1 (0.64) PTGS1GSTK1GLO1NOD1FNTA

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
US-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants RHODE ISLAND HOSPITAL 2017-07-06 US claimed
EP-3166600-A1 TREATING ARRHYTHMIA WITH MITOCHONDRIAL-TARGETED ANTIOXIDANTS Rhode Island Hospital (US) 2017-05-17 EP claimed
WO-2016007921-A1 TREATING ARRHYTHMIA WITH MITOCHONDRIAL-TARGETED ANTIOXIDANTS RHODEL ISLAND HOSPITAL (US) 2016-01-14 WO claimed
WO-2017214297-A1 COMPOUNDS FOR DELIVERING GLUTATHIONE TO A TARGET AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2017-12-14 WO disclosed
US-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants RHODE ISLAND HOSPITAL 2017-07-06 US disclosed
EP-3166600-A1 TREATING ARRHYTHMIA WITH MITOCHONDRIAL-TARGETED ANTIOXIDANTS Rhode Island Hospital (US) 2017-05-17 EP disclosed
WO-2016007921-A1 TREATING ARRHYTHMIA WITH MITOCHONDRIAL-TARGETED ANTIOXIDANTS RHODEL ISLAND HOSPITAL (US) 2016-01-14 WO disclosed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-20110257107-A1 Compounds for Delivering Amino Acids or Peptides with Antioxidant Activity into Mitochondria UNIVERSITY OF ROCHESTER (US) 2011-10-20 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 US disclosed
EP-1968650-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF University of Rochester (US) 2008-09-17 EP disclosed
EP-1954322-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE University of Rochester (US) 2008-08-13 EP disclosed
WO-2007076323-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2007-07-05 WO disclosed
WO-2007062343-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2007-05-31 WO disclosed
US-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof ROCHESTER, UNIVERSITY OF 2007-05-03 US disclosed
EP-1691818-A4 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIV ROCHESTER (US) 2007-01-24 EP disclosed
EP-1691818-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF University of Rochester (US) 2006-08-23 EP disclosed
US-20060160748-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof ROCHESTER, UNIVERSITY OF 2006-07-20 US disclosed
WO-2005051978-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2005-06-09 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 (6 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-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants COQ8A, SQOR, COQ8B PTGS1 1039/4885GSTK1 270/4885GLO1 642/4885
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use TXNRD2, HADHA, PRDX5 PTGS1 541/4885GSTK1 227/4885GLO1 319/4885
US-20110257107-A1 Compounds for Delivering Amino Acids or Peptides with Antioxidant Activity into Mitochondria TXN2, TXNRD2, AIFM1 PTGS1 681/4885GSTK1 187/4885GLO1 738/4885
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use TXNRD2, HADHA, PRDX5 PTGS1 541/4885GSTK1 227/4885GLO1 319/4885
US-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, GLS, PDF PTGS1 640/4885GSTK1 227/4885GLO1 551/4885
US-20060160748-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, TXNRD2, HSPA9 PTGS1 667/4885GSTK1 217/4885GLO1 576/4885

“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.