SCHEMBL13405233

SCHEMBL13405233

O=C(O)CNC(=O)C(CS)NC(=O)CCC(NCCCO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
GSTK1 Q9Y2Q3 1/20 0.62
GLO1 Q04760 5/20 0.44
NOD1 Q9Y239 2/20 0.42
FOLH1 Q04609 1/20 0.40
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PGGT1B P53609 1/20 0.38
PTPN1 P18031 1/20 0.36
GLP1R P43220 6/20 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
SCHEMBL3388445 0.91 PTGS1 (0.63) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL28180347 0.90 PTGS1 (0.62) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL3798423 0.90 PTGS1 (0.62) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL993265 0.89 PTGS1 (0.69) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL2048450 0.88 PTGS1 (0.59) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL28851364 0.88 PTGS1 (0.59) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL28862930 0.87 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL1332941 0.87 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL8933698 0.87 NOD1 (0.58) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL3796646 0.87 NOD1 (0.58) 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 2 patents. 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 disclosed
US-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2007-06-07 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 (1 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 PTGS1 324/4885GSTK1 27/4885GLO1 2/4885

“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.