SCHEMBL4230298

SCHEMBL4230298

N[C@@H](CCC(=O)N[C@@H](CSC(=O)Cc1ccccc1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.57
▸ GSTK1 Q9Y2Q3 1/20 0.57
▸ GLO1 Q04760 5/20 0.51
▸ NOD1 Q9Y239 1/20 0.41
▸ LTA4H P09960 3/20 0.40
▸ SLC1A1 P43005 1/20 0.40

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
SCHEMBL4230290 1.00 PTGS1 (0.57) PTGS1GSTK1GLO1NOD1LTA4H
SCHEMBL31753618 0.90 PTGS1 (0.55) PTGS1GSTK1GLO1LTA4H
SCHEMBL11870647 0.86 PTGS1 (0.53) PTGS1GSTK1GLO1
SCHEMBL26819350 0.86 PTGS1 (0.55) PTGS1GSTK1GLO1LTA4HSLC1A1
SCHEMBL11874436 0.85 GLO1 (0.59) PTGS1GSTK1GLO1LTA4HSLC1A1
SCHEMBL9007849 0.85 PTGS1 (0.59) PTGS1GSTK1GLO1NOD1LTA4H
SCHEMBL5000996 0.85 GLO1 (0.59) PTGS1GSTK1GLO1LTA4HSLC1A1
SCHEMBL11874925 0.84 PTGS1 (0.58) PTGS1GSTK1GLO1LTA4HSLC1A1
SCHEMBL11874912 0.84 PTGS1 (0.58) PTGS1GSTK1GLO1LTA4HSLC1A1
SCHEMBL11875270 0.84 PTGS1 (0.55) PTGS1GSTK1GLO1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536231-A1 A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES, COMPOUNDS OBTAINED FROM SAID PROCESS AND AN INTERMEDIATE USEFUL FOR THE PREPARATION THEREOF. BOEHRINGER MANNHEIM ITALIA (IT) 1993-04-14 — — EP claimed
WO-1992000320-A1 A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES, COMPOUNDS OBTAINED FROM SAID PROCESS AND AN INTERMEDIATE USEFUL FOR THE PREPARATION THEREOF BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-01-09 — — WO claimed
EP-1874948-B1 Process for the production of y-glutamylcysteine NEWSOUTH INNOVATIONS PTY LTD (AU) 2013-03-20 — — EP disclosed
US-8236533-B2 Process for the production of γ-glutamylcysteine NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2012-08-07 — — US disclosed
US-20090136993-A1 Process for the Production of Gamma-Glutamylcysteine NEWSOUTH INNOVATIONS PTY LIMITED 2009-05-28 — — US disclosed
EP-1874948-A1 PROCESS FOR THE PRODUCTION OF y-GLUTAMYLCYSTEINE Newsouth Innovations Pty Limited (AU) 2008-01-09 — — EP disclosed
WO-2006102722-A1 PROCESS FOR THE PRODUCTION OF Ϝ-GLUTAMYLCYSTEINE NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2006-10-05 — — WO disclosed
EP-0536231-B1 A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES AND COMPOUNDS OBTAINED FROM SAID PROCESS BOEHRINGER MANNHEIM ITALIA (IT) 1996-10-23 — — EP disclosed
US-5382679-A Process for the preparation of glutathione S-acyl derivatives, compounds obtained from said process and an intermediate useful for the preparation thereof BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1995-01-17 — — US disclosed
WO-1992000320-A1 A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES, COMPOUNDS OBTAINED FROM SAID PROCESS AND AN INTERMEDIATE USEFUL FOR THE PREPARATION THEREOF BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-01-09 — — WO disclosed
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