SCHEMBL14906324

SCHEMBL14906324

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCC(NC(=O)C(CCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)N(CCCCCCCCCCCC)CCCCCCCCCCCC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 8/20 0.54
SLC6A5 Q9Y345 1/20 0.41
MME P08473 1/20 0.40
KDM5A P29375 2/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
FOLH1 Q04609 2/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37

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
SCHEMBL18969895 0.88 NOD1 (0.45) NOD1SLC6A5KDM5APHF8KDM4C
SCHEMBL15044865 0.86 NOD1 (0.41) NOD1KDM5APHF8KDM4C
SCHEMBL15047638 0.85 NOD1 (0.49) NOD1SLC6A5
SCHEMBL1413101 0.84 NOD1 (0.57) NOD1FOLH1
SCHEMBL31175043 0.83 NOD1 (0.56) NOD1SLC6A5FOLH1
SCHEMBL15044724 0.82 NOD1 (0.50) NOD1KDM5APHF8KDM4CGPR84
SCHEMBL18969891 0.81 NOD1 (0.42) NOD1SLC6A5MMEGPR84
SCHEMBL18978642 0.81 NOD1 (0.38) NOD1MMEKDM5AFOLH1
SCHEMBL7721071 0.79 NOD1 (0.55) NOD1SLC6A5FOLH1
SCHEMBL19970336 0.78 FOLH1 (0.36) NOD1MMEFOLH1

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-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-08 US disclosed
US-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-15 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
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 (3 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-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NOD1 2381/4885SLC6A5 882/4885MME 342/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NOD1 2381/4885SLC6A5 882/4885MME 342/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NOD1 2381/4885SLC6A5 882/4885MME 342/4885

“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.