SCHEMBL22013230

SCHEMBL22013230

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ TDP1 Q9NUW8 6/20 0.41
▸ NPSR1 Q6W5P4 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ SCD O00767 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 5/20 0.38
▸ CA12 O43570 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CD274 Q9NZQ7 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ ROCK1 Q13464 1/20 0.36
▸ ITK Q08881 1/20 0.36

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
SCHEMBL23838022 1.00 MAPT (0.41) MAPTTDP1NPSR1KDM4EKMT2A
SCHEMBL23827406 0.93 SCD (0.41) MAPTTDP1NPSR1KDM4EKMT2A
SCHEMBL23827404 0.93 SCD (0.41) MAPTTDP1NPSR1KDM4EKMT2A
SCHEMBL19027482 0.87 CA12 (0.41) CA1CA2CA12CA9DYRK1A
SCHEMBL20565954 0.87 CA12 (0.41) CA1CA2CA12CA9DYRK1A
SCHEMBL20565953 0.87 CA12 (0.41) CA1CA2CA12CA9DYRK1A
SCHEMBL22013868 0.85 MAPT (0.40) MAPTTDP1NPSR1KDM4EKMT2A
SCHEMBL23827381 0.81 SCD (0.39) MAPTTDP1NPSR1KDM4EKMT2A
SCHEMBL23827383 0.81 SCD (0.39) MAPTTDP1NPSR1KDM4EKMT2A
SCHEMBL20566583 0.80 SUCNR1 (0.42) KMT2AGAACA1CA2CA12

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
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
WO-2020098635-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR 南京圣和药业股份有限公司 2020-05-22 — — WO 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 MAPT 1841/4885TDP1 3885/4885NPSR1 3614/4885

“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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