Sugi Predict

Sugi Predict / Compounds / SCHEMBL2535137

SCHEMBL2535137

SCHEMBL2535137

C[N+](C)(C)CCOOC(=O)[C@@H](N)CSC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 1/20 0.35
▸ GRM6 O15303 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GSR P00390 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GRIK1 P39086 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIK2 Q13002 1/20 0.35
▸ GRIK3 Q13003 1/20 0.35
▸ GRIN2B Q13224 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
SCHEMBL2532430 1.00 GRM8 (0.35) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL4577774 0.77 SLC1A1 (0.44) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL137711 0.76 NOD1 (0.44) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL8218840 0.73 ADRA2A (0.50) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL4252641 0.73 CHRM1 (0.42) ACHEADRA2AADRA1ACHRM1CHRM3
SCHEMBL10489004 0.72 NOD1 (0.48) TSHRS1PR1S1PR3
SCHEMBL210492 0.71 GRM8 (0.63) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL29240006 0.71 GRM8 (0.63) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL15420878 0.71 GRM8 (0.63) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL2530104 0.70 CHRM1 (0.44) ACHEADRA2AADRA1ACHRM1CHRM3

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 15 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
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
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

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 GRM8 4030/4885GRM6 3139/4885GRIN2D 3988/4885
US-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, GLS, PDF GRM8 4087/4885GRM6 3557/4885GRIN2D 3913/4885
US-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury SHMT2, TXN2, TXNRD2 GRM8 2781/4885GRM6 1491/4885GRIN2D 3595/4885
US-20060160748-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, TXNRD2, HSPA9 GRM8 4099/4885GRM6 3182/4885GRIN2D 4163/4885
US-20090298782-A1 Compounds for Delivering Amino Acids or Peptides with Antioxidant Activity into Mitochondria and Use Thereof TXN2, TXNRD2, HSPA9 GRM8 4099/4885GRM6 3182/4885GRIN2D 4163/4885
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury SHMT2, TXN2, TXNRD2 GRM8 2727/4885GRM6 1490/4885GRIN2D 3504/4885

“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.