SCHEMBL14906339

SCHEMBL14906339

CCCCCCCCCCC(O)CN(CC(O)CCCCCCCCCC)C(CCC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
GPR84 Q9NQS5 8/20 0.45
NOD1 Q9Y239 2/20 0.44
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
FAAH O00519 2/20 0.43
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
NFKB1 P19838 1/20 0.40
MAPT P10636 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
SCHEMBL14906281 0.88 FFAR1 (0.58) FFAR1FFAR4GPR84NOD1FAAH
SCHEMBL15044874 0.87 FFAR1 (0.49) FFAR1FFAR4GPR84NOD1GRIK1
SCHEMBL29978498 0.84 GPR84 (0.46) FFAR1FFAR4GPR84NOD1GRIK1
SCHEMBL29978283 0.84 GPR84 (0.46) FFAR1FFAR4GPR84NOD1GRIK1
SCHEMBL26624055 0.83 GPR84 (0.51) FFAR1FFAR4GPR84GRIK1GRIK2
SCHEMBL6890621 0.82 NOD1 (0.57) FFAR1FFAR4GPR84NOD1GRIK1
SCHEMBL30985279 0.82 NOD1 (0.57) FFAR1FFAR4GPR84NOD1GRIK1
SCHEMBL14906343 0.82 GPR84 (0.54) FFAR1FFAR4GPR84GRIK1GRIK2
SCHEMBL29245602 0.82 NOD1 (0.57) FFAR1FFAR4GPR84NOD1GRIK1
SCHEMBL27812063 0.82 NOD1 (0.57) FFAR1FFAR4GPR84NOD1GRIK1

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 5 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-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
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 US disclosed
WO-2013063468-A1 AMINO ACID DERIVATES FUNCTIONALIZED ON THE N- TERMINAL CAPABLE OF FORMING DRUG INCAPSULATING MICROSPHERES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-02 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-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 FFAR1 129/4885FFAR4 155/4885GPR84 225/4885

“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.