SCHEMBL17481432

SCHEMBL17481432

CCCCC[C@H](NC(=O)CCCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 12/20 0.63
▸ SLC6A5 Q9Y345 2/20 0.55
▸ EPHX2 P34913 1/20 0.47
▸ FAAH O00519 2/20 0.47
▸ GLP1R P43220 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL18089437 0.99 NOD1 (0.66) NOD1SLC6A5EPHX2FAAHGLP1R
SCHEMBL29664188 0.96 NOD1 (0.71) NOD1SLC6A5EPHX2FAAHGLP1R
SCHEMBL28719145 0.96 NOD1 (0.71) NOD1SLC6A5EPHX2FAAHGLP1R
SCHEMBL23193930 0.92 NOD1 (0.61) NOD1SLC6A5EPHX2FAAHGLP1R
SCHEMBL17746989 0.90 NOD1 (0.65) NOD1SLC6A5EPHX2FAAHMEN1
SCHEMBL17746988 0.90 NOD1 (0.65) NOD1SLC6A5EPHX2FAAHMEN1
SCHEMBL29072117 0.90 NOD1 (0.48) NOD1SLC6A5EPHX2
SCHEMBL24630046 0.90 NOD1 (0.48) NOD1SLC6A5EPHX2
SCHEMBL29072118 0.90 NOD1 (0.48) NOD1SLC6A5EPHX2
SCHEMBL29335571 0.89 NOD1 (0.50) NOD1SLC6A5

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-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2016-02-04 — — 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-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 NOD1 1689/4885SLC6A5 2254/4885EPHX2 1708/4885

“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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