SCHEMBL20380830

SCHEMBL20380830

CCC[C@@H](NC(=O)CCCC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 10/20 0.61
▸ GNPAT O15228 1/20 0.54
▸ SLC6A5 Q9Y345 2/20 0.49
▸ PLA2G2C Q5R387 1/20 0.49
▸ FOLH1 Q04609 1/20 0.48
▸ RIMKLA Q8IXN7 1/20 0.48
▸ NAALAD2 Q9Y3Q0 1/20 0.48
▸ PLA2G10 O15496 2/20 0.48
▸ POLB P06746 1/20 0.45
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL8292791 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL14478728 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL29329833 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL14725995 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL18560506 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL23601770 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL14685779 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL18783045 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL71687 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10
SCHEMBL25651310 0.95 NOD1 (0.69) NOD1GNPATSLC6A5PLA2G2CPLA2G10

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-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide ALPHABETA AB (SE) 2018-07-17 — — 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-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide APP, BACE1, PSEN1 NOD1 2299/4885GNPAT 1558/4885SLC6A5 3132/4885

“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.

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