SCHEMBL17746971

SCHEMBL17746971

[N-]=[N+]=NCCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.49
▸ GNPAT O15228 1/20 0.47
▸ FOLH1 Q04609 6/20 0.43
▸ SLC6A5 Q9Y345 2/20 0.43
▸ RIMKLA Q8IXN7 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.41
▸ PLA2G2C Q5R387 1/20 0.39
▸ C3AR1 Q16581 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PLA2G10 O15496 1/20 0.39

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
SCHEMBL17746979 1.00 NOD1 (0.49) NOD1GNPATFOLH1SLC6A5RIMKLA
SCHEMBL26113216 1.00 NOD1 (0.49) NOD1GNPATFOLH1SLC6A5RIMKLA
SCHEMBL17746981 1.00 NOD1 (0.49) NOD1GNPATFOLH1SLC6A5RIMKLA
SCHEMBL17746969 1.00 NOD1 (0.49) NOD1GNPATFOLH1SLC6A5RIMKLA
SCHEMBL25482404 0.90 NOD1 (0.51) NOD1GNPATFOLH1SLC6A5RIMKLA
SCHEMBL20009572 0.89 GNPAT (0.54) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL25482477 0.89 NOD1 (0.54) NOD1GNPATFOLH1SLC6A5RIMKLA
SCHEMBL17746988 0.89 NOD1 (0.65) NOD1SLC6A5PLA2G2CEPHX2
SCHEMBL17746989 0.89 NOD1 (0.65) NOD1SLC6A5PLA2G2CEPHX2
SCHEMBL25482680 0.89 NOD1 (0.54) NOD1GNPATFOLH1SLC6A5RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2025-08-07 — — US disclosed
EP-4499667-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2025-02-05 — — EP disclosed
US-11952434-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-09 — — US disclosed
WO-2023192873-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-05 — — WO disclosed
US-20230101323-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-03-30 — — US disclosed
CN-114652813-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-06-24 — — CN disclosed
US-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 — — US disclosed
CN-107108698-B Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-04-29 — — CN disclosed
EP-3778622-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2021-02-17 — — EP disclosed
EP-3218392-B1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-07-29 — — EP 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-9856292-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-02 — — US disclosed
CN-107108698-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2017-08-29 — — CN disclosed
US-20160137696-A1 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY 2016-05-19 — — 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 (8 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-11952434-B2 Immunomodulators CD74, ICOS, HAVCR2 NOD1 447/4885GNPAT 2839/4885FOLH1 550/4885
US-20160137696-A1 Immunomodulators CD74, ICOS, HAVCR2 NOD1 447/4885GNPAT 2839/4885FOLH1 550/4885
US-20230101323-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 NOD1 447/4885GNPAT 2839/4885FOLH1 550/4885
US-10633419-B2 Immunomodulators CD74, ICOS, HAVCR2 NOD1 447/4885GNPAT 2839/4885FOLH1 550/4885
US-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 NOD1 447/4885GNPAT 2839/4885FOLH1 550/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 NOD1 447/4885GNPAT 2839/4885FOLH1 550/4885
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 NOD1 264/4885GNPAT 3547/4885FOLH1 2229/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 NOD1 447/4885GNPAT 2839/4885FOLH1 550/4885

“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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