SCHEMBL20009572

SCHEMBL20009572

[N-]=[N+]=NCC[C@H](NC(=O)CCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.54
▸ FOLH1 Q04609 11/20 0.44
▸ NAALAD2 Q9Y3Q0 2/20 0.44
▸ RIMKLA Q8IXN7 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ C3AR1 Q16581 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
SCHEMBL17746971 0.89 NOD1 (0.49) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL17746969 0.89 NOD1 (0.49) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL17746979 0.89 NOD1 (0.49) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL17746981 0.89 NOD1 (0.49) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL26113216 0.89 NOD1 (0.49) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL31411843 0.87 FOLH1 (0.53) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL20009714 0.86 NOD1 (0.48) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL25482404 0.82 NOD1 (0.51) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL25482477 0.81 NOD1 (0.54) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL17746989 0.81 NOD1 (0.65) NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 — — US disclosed
US-20200216498-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-09 — — US disclosed
US-10633419-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-28 — — US disclosed
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — US disclosed
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 (4 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-10633419-B2 Immunomodulators CD74, ICOS, HAVCR2 GNPAT 2839/4885FOLH1 550/4885NAALAD2 617/4885
US-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 GNPAT 2839/4885FOLH1 550/4885NAALAD2 617/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 GNPAT 2839/4885FOLH1 550/4885NAALAD2 617/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 GNPAT 2839/4885FOLH1 550/4885NAALAD2 617/4885

“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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