SCHEMBL23827406

SCHEMBL23827406

CC(C)(C)OC(=O)NCCCn1cc(C(=O)Nc2ccc(OCC(O)C(=O)O)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.41
▸ SUCNR1 Q9BXA5 8/20 0.39
▸ MAPT P10636 5/20 0.39
▸ NPSR1 Q6W5P4 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL23827404 1.00 SCD (0.41) SCDSUCNR1MAPTNPSR1KDM4E
SCHEMBL23838022 0.93 MAPT (0.41) SCDMAPTNPSR1KDM4ELMNA
SCHEMBL22013230 0.93 MAPT (0.41) SCDMAPTNPSR1KDM4ELMNA
SCHEMBL20566583 0.87 SUCNR1 (0.42) SUCNR1CA12CA1CA2CA9
SCHEMBL20566580 0.87 SUCNR1 (0.42) SUCNR1CA12CA1CA2CA9
SCHEMBL23827383 0.85 SCD (0.39) SCDSUCNR1MAPTNPSR1KDM4E
SCHEMBL23827381 0.85 SCD (0.39) SCDSUCNR1MAPTNPSR1KDM4E
SCHEMBL22013868 0.81 MAPT (0.40) SCDMAPTNPSR1KDM4ETDP1
SCHEMBL20565953 0.80 CA12 (0.41) SUCNR1CA12CA1CA2CA9
SCHEMBL20565954 0.80 CA12 (0.41) SUCNR1CA12CA1CA2CA9

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 511/4885SUCNR1 1018/4885MAPT 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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