SCHEMBL20009714

SCHEMBL20009714

CCCC(=O)N[C@@H](CCN=[N+]=[N-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 13/20 0.48
▸ SLC6A5 Q9Y345 2/20 0.41
▸ GNPAT O15228 1/20 0.39
▸ HDAC2 Q92769 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ RIMKLA Q8IXN7 1/20 0.36
▸ NAALAD2 Q9Y3Q0 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36

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
SCHEMBL17746989 0.88 NOD1 (0.65) NOD1SLC6A5
SCHEMBL17746988 0.88 NOD1 (0.65) NOD1SLC6A5
SCHEMBL20009572 0.86 GNPAT (0.54) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL20009636 0.85 KMT2A (0.39) NOD1HDAC2
SCHEMBL26113216 0.82 NOD1 (0.49) NOD1SLC6A5GNPATFOLH1RIMKLA
SCHEMBL17746971 0.82 NOD1 (0.49) NOD1SLC6A5GNPATFOLH1RIMKLA
SCHEMBL17746981 0.82 NOD1 (0.49) NOD1SLC6A5GNPATFOLH1RIMKLA
SCHEMBL17746969 0.82 NOD1 (0.49) NOD1SLC6A5GNPATFOLH1RIMKLA
SCHEMBL17746979 0.82 NOD1 (0.49) NOD1SLC6A5GNPATFOLH1RIMKLA
SCHEMBL17481432 0.81 NOD1 (0.63) 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-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — 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-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 NOD1 447/4885SLC6A5 4762/4885GNPAT 2839/4885

“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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