SCHEMBL23827381

SCHEMBL23827381

CC(C)(C)OC(=O)NCCCn1cc(C(=O)Nc2ccc(OC[C@H](ON3C(=O)c4ccccc4C3=O)C(=O)O)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ SUCNR1 Q9BXA5 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ ROCK1 Q13464 5/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35

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
SCHEMBL23827383 1.00 SCD (0.39) SCDTDP1MAPTNPSR1SUCNR1
SCHEMBL22013868 0.94 MAPT (0.40) SCDTDP1MAPTNPSR1KDM4E
SCHEMBL23827380 0.93 SCD (0.43) SCDTDP1MAPTNPSR1SUCNR1
SCHEMBL23827382 0.93 SCD (0.43) SCDTDP1MAPTNPSR1SUCNR1
SCHEMBL18991797 0.89 MMP2 (0.39) SUCNR1PDPK1CCNB2PRKCBCDK1
SCHEMBL20566016 0.89 MMP2 (0.39) SUCNR1PDPK1CCNB2PRKCBCDK1
SCHEMBL23827404 0.85 SCD (0.41) SCDTDP1MAPTNPSR1SUCNR1
SCHEMBL23827406 0.85 SCD (0.41) SCDTDP1MAPTNPSR1SUCNR1
SCHEMBL18991515 0.83 MMP2 (0.38) SUCNR1PDPK1CCNB2PRKCBCDK1
SCHEMBL18991513 0.83 MMP2 (0.38) SUCNR1PDPK1CCNB2PRKCBCDK1

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 SCD 511/4885TDP1 3885/4885MAPT 1841/4885

“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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