SCHEMBL17747031

SCHEMBL17747031

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.33
▸ DDAH1 O94760 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ SLC1A1 P43005 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ZDHHC7 Q9NXF8 1/20 0.30

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
SCHEMBL17747029 1.00 LTA4H (0.33) LTA4HDDAH1CA1CA2SLC1A1
SCHEMBL22703468 0.84 NOS3 (0.43) —
SCHEMBL15353715 0.79 NOS2 (0.35) DDAH1
Hydrochloric Acid SCHEMBL15528000 0.78 LTA4H (0.36) LTA4H
SCHEMBL11776470 0.77 SMN1; SMN2 (0.42) LTA4HCA1CA2SLC1A1SMN1; SMN2
SCHEMBL22703139 0.77 NOS3 (0.41) —
SCHEMBL20725263 0.76 NOS2 (0.34) DDAH1
SCHEMBL14164385 0.76 NOS2 (0.47) DDAH1SLC1A1
SCHEMBL14087200 0.76 NOS2 (0.47) DDAH1SLC1A1
SCHEMBL15485862 0.76 NOS2 (0.47) DDAH1SLC1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952434-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-09 — — US 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
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
US-20210048439-A1 CAGED AMINO ACIDS FOR CONTROLLED METABOLIC INCORPORATION AND METHODS OF USE UNIVERSITY OF WASHINGTON (US) 2021-02-18 — — US disclosed
EP-3778622-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2021-02-17 — — EP 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-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
US-9856292-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-02 — — US disclosed
WO-2017180535-A1 CHIRAL PEPTIDES CARNOT, LLC (US) 2017-10-19 — — WO disclosed
EP-3218392-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2017-09-20 — — EP disclosed
CN-107108698-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2017-08-29 — — CN disclosed
WO-2016077518-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
WO-2016077518-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
US-20160137696-A1 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY 2016-05-19 — — US 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 (5 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 LTA4H 470/4885DDAH1 3136/4885CA1 4767/4885
US-20160137696-A1 Immunomodulators CD74, ICOS, HAVCR2 LTA4H 470/4885DDAH1 3136/4885CA1 4767/4885
US-20230101323-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 LTA4H 470/4885DDAH1 3136/4885CA1 4767/4885
US-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 LTA4H 470/4885DDAH1 3136/4885CA1 4767/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 LTA4H 470/4885DDAH1 3136/4885CA1 4767/4885

“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.

Send feedback