SCHEMBL91076

SCHEMBL91076

CNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.61
EPHX2 P34913 2/20 0.50
GNPAT O15228 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
FOLH1 Q04609 1/20 0.44
KMT2A Q03164 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
SCHEMBL91067 0.92 NOD1 (0.52) NOD1EPHX2GNPATFOLH1
SCHEMBL12982610 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1
SCHEMBL27322925 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1
SCHEMBL18573664 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1
SCHEMBL12980909 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1
SCHEMBL13974161 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1
SCHEMBL13641019 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1
SCHEMBL18573773 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1
SCHEMBL72619 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1
SCHEMBL16257666 0.91 NOD1 (0.65) NOD1EPHX2GNPATSLC6A5FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129343-B2 Acylated GLP-1 compounds NOVO NORDISK A/S (DK) 2012-03-06 US disclosed
US-20090156478-A1 Acylated GLP-1 Compounds NOVO NORDISK A/S (DK) 2009-06-18 US disclosed
US-20090156478-A1 Acylated GLP-1 Compounds NOVO NORDISK A/S (DK) 2009-06-18 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-20090156478-A1 Acylated GLP-1 Compounds GLP1R, GIPR, GCGR NOD1 1340/4885EPHX2 4514/4885GNPAT 428/4885

“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.