SCHEMBL15047641

SCHEMBL15047641

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.46
GPR84 Q9NQS5 8/20 0.41
FFAR1 O14842 2/20 0.41
PPARD Q03181 7/20 0.40
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
KMT2A Q03164 2/20 0.38
ACE2 Q9BYF1 1/20 0.38
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38

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
SCHEMBL28655988 1.00 NOD1 (0.46) NOD1GPR84FFAR1PPARDMAPT
SCHEMBL4771369 0.98 NOD1 (0.44) NOD1GPR84FFAR1PPARDMAPT
SCHEMBL4771375 0.98 NOD1 (0.44) NOD1GPR84FFAR1PPARDMAPT
SCHEMBL19852729 0.93 NOD1 (0.41) NOD1GPR84FFAR1PPARDMAPT
SCHEMBL29001879 0.91 NOD1 (0.39) NOD1GPR84FFAR1PPARDMAPT
SCHEMBL15044794 0.85 NOD1 (0.37) NOD1GPR84PPARDMAPTKMT2A
SCHEMBL29588653 0.85 NOD1 (0.48) NOD1GPR84FFAR1PPARDMAPT
SCHEMBL30304076 0.85 NOD1 (0.48) NOD1GPR84FFAR1PPARDMAPT
SCHEMBL28380493 0.84 FDPS (0.39) NOD1MAPTGRIK1GRIK2TDP1
SCHEMBL8859855 0.84 GPR84 (0.40) NOD1GPR84FFAR1PPARDMAPT

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-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 2381/4885GPR84 225/4885FFAR1 129/4885

“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.