SCHEMBL23827435

SCHEMBL23827435

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ccc(OC[C@@H](O)C(=O)O)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 8/20 0.43
▸ HDAC4 P56524 4/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL23827436 1.00 SUCNR1 (0.43) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL29101097 1.00 SUCNR1 (0.43) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL29101054 0.93 TDP1 (0.43) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL29101055 0.93 TDP1 (0.43) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL23838013 0.90 CA1 (0.39) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL23827392 0.84 PSMB8 (0.41) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL23827389 0.84 PSMB8 (0.41) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL22012933 0.80 CA1 (0.48) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL22012931 0.80 CA1 (0.48) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL31080074 0.79 SUCNR1 (0.43) SUCNR1CA1CA2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171014-B Monocyclolactam compounds and uses thereof 南京圣和药业股份有限公司 2023-11-07 — — CN disclosed
CN-112771040-B Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2022-10-18 — — CN disclosed
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 — — US disclosed
EP-3882246-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2021-09-22 — — EP disclosed
CN-112771040-A Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 — — CN disclosed
CN-111171014-A Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2020-05-19 — — CN 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-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR BPGM, IL1B, WEE1 SUCNR1 1018/4885HDAC4 3059/4885HDAC1 2217/4885

“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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