SCHEMBL22013868

SCHEMBL22013868

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ TDP1 Q9NUW8 7/20 0.40
▸ NPSR1 Q6W5P4 5/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ SCD O00767 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ ROCK1 Q13464 5/20 0.36
▸ ROCK2 O75116 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

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 0.94 SCD (0.39) MAPTTDP1NPSR1KDM4ESCD
SCHEMBL23827381 0.94 SCD (0.39) MAPTTDP1NPSR1KDM4ESCD
SCHEMBL18991515 0.89 MMP2 (0.38) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL29360136 0.89 MMP2 (0.38) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL18991513 0.89 MMP2 (0.38) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL23827380 0.88 SCD (0.43) MAPTTDP1NPSR1KDM4ESCD
SCHEMBL23827382 0.88 SCD (0.43) MAPTTDP1NPSR1KDM4ESCD
SCHEMBL22013230 0.85 MAPT (0.41) MAPTTDP1NPSR1KDM4ESCD
SCHEMBL23838022 0.85 MAPT (0.41) MAPTTDP1NPSR1KDM4ESCD
SCHEMBL20566016 0.83 MMP2 (0.39) PDPK1CCNB2PRKCBCDK1LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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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