SCHEMBL2532429

SCHEMBL2532429

C[N+](C)(C)CCOC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
GSTK1 Q9Y2Q3 1/20 0.53
NOD1 Q9Y239 12/20 0.49
FOLH1 Q04609 2/20 0.40
GLO1 Q04760 1/20 0.40
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL2530952 0.86 PTGS1 (0.65) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL2534816 0.86 PTGS1 (0.65) PTGS1GSTK1NOD1FOLH1GLO1
Bromide SCHEMBL4250677 0.85 PTGS1 (0.64) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL19359038 0.83 NOD1 (0.59) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL137710 0.83 NOD1 (0.59) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL12804895 0.83 NOD1 (0.59) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL4577767 0.83 PTGS1 (0.62) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL5073137 0.82 PTGS1 (0.43) PTGS1GSTK1NOD1FOLH1GLO1
Hydrochloric Acid SCHEMBL9548427 0.82 NOD1 (0.58) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL10489000 0.81 NOD1 (0.73) PTGS1GSTK1NOD1FOLH1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
CN-114786689-A Compositions and methods for glutathione enhancement for use in brain health 雀巢产品有限公司 2022-07-22 CN 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-20090298782-A1 Compounds for Delivering Amino Acids or Peptides with Antioxidant Activity into Mitochondria and Use Thereof UNIVERSITY OF ROCHESTER (US) 2009-12-03 US disclosed
US-7585846-B2 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof UNIVERSITY OF ROCHESTER (US) 2009-09-08 US disclosed
US-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury UNIVERSITY OF ROCHESTER 2009-06-11 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-1965650-A2 COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY University of Rochester (US) 2008-09-10 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-2007076322-A2 COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY UNIVERSITY OF ROCHESTER (US) 2007-07-05 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
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-08 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-20110257107-A1 Compounds for Delivering Amino Acids or Peptides with Antioxidant Activity into Mitochondria TXN2, TXNRD2, AIFM1 PTGS1 681/4885GSTK1 187/4885NOD1 4231/4885
US-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, GLS, PDF PTGS1 640/4885GSTK1 227/4885NOD1 4215/4885
US-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury SHMT2, TXN2, TXNRD2 PTGS1 219/4885GSTK1 164/4885NOD1 897/4885
US-20060160748-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, TXNRD2, HSPA9 PTGS1 667/4885GSTK1 217/4885NOD1 4098/4885
US-20090298782-A1 Compounds for Delivering Amino Acids or Peptides with Antioxidant Activity into Mitochondria and Use Thereof TXN2, TXNRD2, HSPA9 PTGS1 667/4885GSTK1 217/4885NOD1 4098/4885
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury SHMT2, TXN2, TXNRD2 PTGS1 222/4885GSTK1 165/4885NOD1 864/4885

“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.