SCHEMBL15044799

SCHEMBL15044799

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCSC)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.37
CES2 O00748 1/20 0.36
GGPS1 O95749 3/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
GPR84 Q9NQS5 3/20 0.33
FDPS P14324 3/20 0.33
RNPEP Q9H4A4 1/20 0.33
EPHX1 P07099 1/20 0.33
FFAR1 O14842 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
FAAH O00519 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL15559501 0.87 NOD1 (0.48) NOD1GRIK1GRIK2GPR84RNPEP
SCHEMBL15559502 0.87 NOD1 (0.48) NOD1GRIK1GRIK2GPR84RNPEP
SCHEMBL27578826 0.87 NOD1 (0.48) NOD1GRIK1GRIK2GPR84RNPEP
SCHEMBL15044757 0.82 GPR84 (0.41) GRIK1GRIK2GPR84FFAR1FAAH
SCHEMBL20813969 0.81 NOD1 (0.43) NOD1GGPS1GRIK1GRIK2GPR84
SCHEMBL15044789 0.79 GPR84 (0.47) NOD1GPR84FFAR1
SCHEMBL15044803 0.78 NOD1 (0.38) NOD1CES2GGPS1GPR84EPHX1
SCHEMBL15044891 0.77 PLA2G1B (0.42) NOD1GRIK1GRIK2GPR84FFAR1
SCHEMBL15044794 0.76 NOD1 (0.37) NOD1CES2GGPS1GPR84
SCHEMBL15044788 0.75 GPR84 (0.46) NOD1GPR84FFAR1

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-9512073-B2 Amino acid-, peptide-and polypeptide-lipids, isomers, compositions, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-06 US disclosed
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 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-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NOD1 2381/4885CES2 2596/4885GGPS1 1561/4885

“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.