SCHEMBL3281589

SCHEMBL3281589

N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 7/20 0.62
▸ PTGS1 P23219 1/20 0.52
▸ GSTK1 Q9Y2Q3 1/20 0.52
▸ FOLH1 Q04609 1/20 0.34
▸ NOD1 Q9Y239 2/20 0.34
▸ LTA4H P09960 1/20 0.33

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
SCHEMBL3281581 1.00 GLO1 (0.62) GLO1PTGS1GSTK1FOLH1NOD1
Octanedioate SCHEMBL5671265 0.96 GLO1 (0.62) GLO1PTGS1GSTK1FOLH1NOD1
SCHEMBL13405584 0.91 GLO1 (0.61) GLO1PTGS1GSTK1FOLH1NOD1
SCHEMBL3280199 0.91 GLO1 (0.60) GLO1PTGS1GSTK1FOLH1NOD1
SCHEMBL3280191 0.91 GLO1 (0.60) GLO1PTGS1GSTK1FOLH1NOD1
SCHEMBL3281097 0.91 GLO1 (0.72) GLO1PTGS1GSTK1FOLH1NOD1
SCHEMBL3279946 0.91 GLO1 (0.60) GLO1PTGS1GSTK1FOLH1NOD1
SCHEMBL3279951 0.91 GLO1 (0.60) GLO1PTGS1GSTK1FOLH1NOD1
SCHEMBL3281101 0.91 GLO1 (0.72) GLO1PTGS1GSTK1FOLH1NOD1
SCHEMBL5063030 0.85 GLO1 (0.50) GLO1PTGS1GSTK1NOD1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700560-B2 Inactivators and bivalent inhibitors of glyoxalase I and methods of inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-20 — — US claimed
US-20070287672-A1 Macromolecular Gsh-Activiated Glyoxylase I Inhibitors MARYLAND, UNIVERSITY OF, BALTIMORE COUNTY 2007-12-13 — — US claimed
US-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2007-06-07 — — US claimed
JP-2006526632-A — — 2006-11-24 — — JP claimed
EP-1628999-A4 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH UNIV MARYLAND (US) 2006-08-23 — — EP claimed
EP-1628999-A2 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH University of Maryland, Baltimore County (US) 2006-03-01 — — EP claimed
WO-2005115338-A2 MACROMOLECULAR GSH-ACTIVATED GLYOXYLASE I INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2005-12-08 — — WO claimed
WO-2005007079-A2 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2005-01-27 — — WO claimed
US-12521426-B2 Methods and compositions for inhibiting glyoxalase 1 (GLO1) PALMER ABRAHAM (US) 2026-01-13 — — US disclosed
US-20220305073-A1 METHODS AND COMPOSITIONS FOR INHIBITING GLYOXALASE 1 (GLO1) PALMER ABRAHAM (US) 2022-09-29 — — US disclosed
US-11235020-B2 Methods and compositions for inhibiting glyoxalase 1 (GLO1) DISTLER, Margaret 2022-02-01 — — US disclosed
US-20160038559-A1 METHODS AND COMPOSITIONS FOR INHIBITING GLYOXALASE 1 (GLO1) PALMER, Abraham 2016-02-11 — — US disclosed
US-7700560-B2 Inactivators and bivalent inhibitors of glyoxalase I and methods of inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-20 — — US disclosed
US-20070287672-A1 Macromolecular Gsh-Activiated Glyoxylase I Inhibitors MARYLAND, UNIVERSITY OF, BALTIMORE COUNTY 2007-12-13 — — US disclosed
EP-1628999-A4 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH UNIV MARYLAND (US) 2006-08-23 — — EP disclosed
EP-1628999-A2 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH University of Maryland, Baltimore County (US) 2006-03-01 — — EP disclosed
WO-2005115338-A2 MACROMOLECULAR GSH-ACTIVATED GLYOXYLASE I INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2005-12-08 — — WO disclosed
WO-2005007079-A2 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2005-01-27 — — WO disclosed
US-5616563-A ANTITUMOR AGENTS UNIVERSITY OF MARYLAND BALTIMORE CAMPUS (US) 1997-04-01 — — US disclosed
WO-1996000061-A1 GLUTATHIONE N-HYDROXYCARBAMOYL THIOESTERS AND METHOD OF INHIBITING NEOPLASTIC GROWTH UNIVERSITY OF MARYLAND BALTIMORE COUNTY (US) 1996-01-04 — — 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 (2 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-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth GLS, GLO1, GLRX3 GLO1 2/4885PTGS1 324/4885GSTK1 27/4885
US-20070287672-A1 Macromolecular Gsh-Activiated Glyoxylase I Inhibitors GLO1, GGT1, GSTA1 GLO1 1/4885PTGS1 80/4885GSTK1 8/4885

“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.

Send feedback