SCHEMBL20566242

SCHEMBL20566242

CC(C)(C)OC(=O)NCCCn1cnc(-c2ccc(OCC(ON3C(=O)c4ccccc4C3=O)C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 4/20 0.38
▸ TPSAB1 Q15661 1/20 0.38
▸ TPSD1 Q9BZJ3 1/20 0.38
▸ TPSG1 Q9NRR2 1/20 0.38
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CCNB3 Q8WWL7 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
SCHEMBL19027728 1.00 SUCNR1 (0.38) SUCNR1TPSAB1TPSD1TPSG1CA12
SCHEMBL29357810 1.00 SUCNR1 (0.38) SUCNR1TPSAB1TPSD1TPSG1CA12
SCHEMBL20566739 0.94 SUCNR1 (0.41) SUCNR1TPSAB1TPSD1TPSG1CA12
SCHEMBL20566740 0.94 SUCNR1 (0.41) SUCNR1TPSAB1TPSD1TPSG1CA12
SCHEMBL20566470 0.85 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL20566469 0.85 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL23999314 0.85 TPSAB1 (0.35) SUCNR1TPSAB1TPSD1TPSG1CA12
SCHEMBL18991515 0.85 MMP2 (0.38) SUCNR1TPSAB1TPSD1TPSG1CA12
SCHEMBL18991513 0.85 MMP2 (0.38) SUCNR1TPSAB1TPSD1TPSG1CA12
SCHEMBL29360136 0.85 MMP2 (0.38) SUCNR1TPSAB1TPSD1TPSG1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978472-B1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-10-16 — — EP disclosed
EP-3978472-A1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2022-04-06 — — EP disclosed
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 — — EP disclosed
US-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2018-11-29 — — 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-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS BMX, BTK, ABCB11 SUCNR1 2417/4885TPSAB1 443/4885TPSD1 2706/4885

“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.

Send feedback