SCHEMBL4677499

SCHEMBL4677499

CCCCCCCCNC(=O)C(=O)CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 11/20 0.59
PTGS1 P23219 1/20 0.53
GSTK1 Q9Y2Q3 1/20 0.53
GLO1 Q04760 1/20 0.53
TLR2 O60603 1/20 0.44
GLP1R P43220 3/20 0.42

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
SCHEMBL4674044 1.00 NOD1 (0.59) NOD1PTGS1GSTK1GLO1TLR2
SCHEMBL4675137 0.88 PTGS1 (0.59) NOD1PTGS1GSTK1GLO1
SCHEMBL11874868 0.87 NOD1 (0.64) NOD1PTGS1GSTK1GLO1TLR2
SCHEMBL11867544 0.87 NOD1 (0.64) NOD1PTGS1GSTK1GLO1TLR2
SCHEMBL17075565 0.86 PTGS1 (0.59) NOD1PTGS1GSTK1GLO1
SCHEMBL6926435 0.86 PTGS1 (0.59) NOD1PTGS1GSTK1GLO1
SCHEMBL1158162 0.86 PTGS1 (0.59) NOD1PTGS1GSTK1GLO1
SCHEMBL17075566 0.86 PTGS1 (0.59) NOD1PTGS1GSTK1GLO1
SCHEMBL2091575 0.86 PTGS1 (0.59) NOD1PTGS1GSTK1GLO1
SCHEMBL11866992 0.86 PTGS1 (0.59) NOD1PTGS1GSTK1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP claimed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP claimed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US claimed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP claimed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US claimed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US claimed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 WO claimed
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 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 (4 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 NOD1 3148/4885PTGS1 308/4885GSTK1 66/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 NOD1 3084/4885PTGS1 816/4885GSTK1 280/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 NOD1 3084/4885PTGS1 816/4885GSTK1 280/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 NOD1 3084/4885PTGS1 816/4885GSTK1 280/4885

“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.