SCHEMBL29359395

SCHEMBL29359395

CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC[C@H](ON3C(=O)c4ccccc4C3=O)C(=O)OC(C)(C)C)cc2Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 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
▸ CCNA1 P78396 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34

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
SCHEMBL18991172 1.00 PDK2 (0.36) PDK2PDPK1CCNB2PRKCBCDK1
SCHEMBL18991170 1.00 PDK2 (0.36) PDK2PDPK1CCNB2PRKCBCDK1
SCHEMBL20567229 0.94 PDCD1 (0.37) PDK2PDPK1CCNB2PRKCBCDK1
SCHEMBL20567228 0.94 PDCD1 (0.37) PDK2PDPK1CCNB2PRKCBCDK1
SCHEMBL29360202 0.91 FEN1 (0.40) PDK2PDPK1CCNB2PRKCBCDK1
SCHEMBL29360136 0.90 MMP2 (0.38) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL18991513 0.90 MMP2 (0.38) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL18991515 0.90 MMP2 (0.38) PDPK1CCNB2PRKCBCDK1LYN
Iodide SCHEMBL18990793 0.87 PDK2 (0.34) PDK2PDPK1CCNB2PRKCBCDK1
Iodide SCHEMBL31079961 0.87 PDK2 (0.34) PDK2PDPK1CCNB2PRKCBCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368040-B Diaryl monocyclic beta-lactam compounds and methods for their use in the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 — — CN disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 — — US 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-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX PDK2 4062/4885PDPK1 4147/4885CCNB2 1765/4885

“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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