SCHEMBL3796646

SCHEMBL3796646

CCCCCCCCCCN[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.58
PTGS1 P23219 1/20 0.58
GSTK1 Q9Y2Q3 1/20 0.58
GLP1R P43220 8/20 0.48
EPHX2 P34913 2/20 0.46
GLO1 Q04760 2/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 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
SCHEMBL8933698 1.00 NOD1 (0.58) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL2787327 1.00 NOD1 (0.58) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL27640167 1.00 NOD1 (0.58) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL2048450 0.99 PTGS1 (0.59) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL28851364 0.99 PTGS1 (0.59) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL3798423 0.96 PTGS1 (0.62) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL28180347 0.96 PTGS1 (0.62) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL1503473 0.91 PTGS1 (0.63) NOD1PTGS1GSTK1GLP1RGLO1
SCHEMBL3800861 0.90 NOD1 (0.65) NOD1PTGS1GSTK1GLP1R
SCHEMBL3796046 0.90 NOD1 (0.65) NOD1PTGS1GSTK1GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398500-A2 GLUTATHIONE-BASED DRUG DELIVERY SYSTEM TO-BBB Holding B.V. (NL) 2011-12-28 EP claimed
WO-2010095940-A2 GLUTATHIONE-BASED DRUG DELIVERY SYSTEM TO-BBB HOLDING B.V. (NL) 2010-08-26 WO claimed
EP-3270889-A1 TARGETED LIPOSOMAL DELIVERY OF CGMP ANALOGUES Mireca Medicines GmbH (DE) 2018-01-24 EP disclosed
WO-2016146669-A1 TARGETED LIPOSOMAL DELIVERY OF CGMP ANALOGUES EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2016-09-22 WO disclosed
US-20080152640-A1 Means and Methods For Treating a Disease Which is Associated With an Excess Transport of Hyaluronan Across a Lipid Bilayer UNIVERSITATSKLINIKUM MUNSTER (DE) 2008-06-26 US disclosed
WO-2002059142-A2 POLYMORPHISMS IN THE HUMAN GENE FOR THE MULTIDRUG RESISTANCE-ASSOCIATED PROTEIN 1 (MRP-1) AND THEIR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS EPIDAUROS BIOTECHNOLOGIES AG (DE) 2002-08-01 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 (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-20080152640-A1 Means and Methods For Treating a Disease Which is Associated With an Excess Transport of Hyaluronan Across a Lipid Bilayer ABCB1, ABCB11, SLC47A2 NOD1 1684/4885PTGS1 1544/4885GSTK1 1871/4885

“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.