SCHEMBL16446954

SCHEMBL16446954

[N-]=[N+]=NCCNC(=O)NCCSC[C@@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 5/20 0.44
▸ NOS1 P29475 3/20 0.44
▸ NOS3 P29474 2/20 0.44
▸ ARG1 P05089 1/20 0.42
▸ ARG2 P78540 1/20 0.42

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
SCHEMBL28260909 1.00 NOS2 (0.44) NOS2NOS1NOS3ARG1ARG2
SCHEMBL17852276 1.00 NOS2 (0.44) NOS2NOS1NOS3ARG1ARG2
SCHEMBL20178597 0.83 NOS2 (0.46) NOS2NOS1NOS3ARG1ARG2
SCHEMBL16454066 0.83 NOS2 (0.46) NOS2NOS1NOS3ARG1ARG2
SCHEMBL16447245 0.83 NOS2 (0.46) NOS2NOS1NOS3ARG1ARG2
SCHEMBL17840976 0.82 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL17852379 0.82 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL20178588 0.82 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL17852377 0.82 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL16446582 0.82 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 — — EP disclosed
CN-105980350-B Amino acid derivativges 米迪缪尼有限公司 2018-11-27 — — CN disclosed
US-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 — — US disclosed
CN-105980350-A Amino acid derivatives 米迪缪尼有限公司 2016-09-28 — — CN disclosed
US-20160176811-A1 Amino Acid Derivatives ALLOZYNE, INC. 2016-06-23 — — US disclosed
EP-3030545-A2 AMINO ACID DERIVATIVES Medimmune Limited (GB) 2016-06-15 — — EP disclosed
WO-2015019192-A2 AMINO ACID DERIVATIVES MEDIMMUNE LIMITED (GB) 2015-02-12 — — 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-20160176811-A1 Amino Acid Derivatives BCAT2, BCAT1, DAO NOS2 3197/4885NOS1 3381/4885NOS3 2449/4885

“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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