SCHEMBL20100665

SCHEMBL20100665

CC(C)(C)C(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.56
SLC6A5 Q9Y345 2/20 0.43
KMT2A Q03164 2/20 0.41
GNPAT O15228 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL29324465 0.90 NOD1 (0.57) NOD1SLC6A5KMT2AGNPAT
SCHEMBL25715312 0.90 NOD1 (0.57) NOD1SLC6A5KMT2AGNPAT
SCHEMBL21955523 0.90 NOD1 (0.57) NOD1SLC6A5KMT2AGNPAT
SCHEMBL21282066 0.90 NOD1 (0.57) NOD1SLC6A5KMT2AGNPAT
SCHEMBL24796368 0.88 NOD1 (0.73) NOD1SLC6A5KMT2A
SCHEMBL22586479 0.88 NOD1 (0.60) NOD1SLC6A5KMT2AGNPAT
SCHEMBL27403804 0.88 NOD1 (0.60) NOD1SLC6A5KMT2AGNPAT
SCHEMBL27403810 0.88 NOD1 (0.60) NOD1SLC6A5KMT2AGNPAT
SCHEMBL19273454 0.88 NOD1 (0.73) NOD1SLC6A5KMT2A
SCHEMBL29324486 0.87 NOD1 (0.76) NOD1SLC6A5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NOD1 1373/4885SLC6A5 2437/4885KMT2A 2481/4885

“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.