SCHEMBL18089437

SCHEMBL18089437

CCCCCCCCCCCCCC(=O)NC(CCCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 12/20 0.66
▸ SLC6A5 Q9Y345 2/20 0.57
▸ EPHX2 P34913 1/20 0.49
▸ FAAH O00519 2/20 0.49
▸ GLP1R P43220 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL17481432 0.99 NOD1 (0.63) NOD1SLC6A5EPHX2FAAHGLP1R
SCHEMBL29664188 0.97 NOD1 (0.71) NOD1SLC6A5EPHX2FAAHGLP1R
SCHEMBL28719145 0.97 NOD1 (0.71) NOD1SLC6A5EPHX2FAAHGLP1R
SCHEMBL23193930 0.93 NOD1 (0.61) NOD1SLC6A5EPHX2FAAHGLP1R
SCHEMBL17746988 0.92 NOD1 (0.65) NOD1SLC6A5EPHX2FAAHMEN1
SCHEMBL17746989 0.92 NOD1 (0.65) NOD1SLC6A5EPHX2FAAHMEN1
SCHEMBL29335571 0.90 NOD1 (0.50) NOD1SLC6A5
SCHEMBL29072117 0.89 NOD1 (0.48) NOD1SLC6A5EPHX2
SCHEMBL24630046 0.89 NOD1 (0.48) NOD1SLC6A5EPHX2
SCHEMBL29072118 0.89 NOD1 (0.48) NOD1SLC6A5EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207276-A1 MODIFIED THERAPEUTIC AGENTS AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2018-07-26 — — US disclosed
WO-2016149501-A2 MODIFIED THERAPEUTIC AGENTS AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-22 — — 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-20180207276-A1 MODIFIED THERAPEUTIC AGENTS AND COMPOSITIONS THEREOF HDGF, ELANE, CD47 NOD1 2428/4885SLC6A5 4772/4885EPHX2 1258/4885

“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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