SCHEMBL18990854

SCHEMBL18990854

CC(C)(C)OC(=O)NCC#Cc1ccc(-c2ccc(OC[C@@H](O)C(=O)OC(C)(C)C)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.41
▸ ACACB O00763 5/20 0.39
▸ SUCNR1 Q9BXA5 5/20 0.35
▸ CA12 O43570 5/20 0.35
▸ CA1 P00915 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA9 Q16790 5/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL18990852 1.00 PTPN11 (0.41) PTPN11ACACBSUCNR1CA12CA1
SCHEMBL18990470 0.78 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL18990469 0.78 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL6794932 0.77 PTPN11 (0.58) PTPN11ACACBCA12CA1CA2
SCHEMBL31017536 0.74 PTPN11 (0.48) PTPN11DDB1CRBN
SCHEMBL6789803 0.74 PTPN11 (0.48) PTPN11DDB1CRBN
SCHEMBL30463945 0.73 PTPN11 (0.54) PTPN11ACACBCA12CA1CA2
SCHEMBL25727149 0.73 PTPN11 (0.54) PTPN11ACACBCA12CA1CA2
SCHEMBL30463958 0.73 PTPN11 (0.54) PTPN11ACACBCA12CA1CA2
SCHEMBL25727131 0.73 PTPN11 (0.54) PTPN11ACACBCA12CA1CA2

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 9 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
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
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
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
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 — — EP disclosed
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-11-19 — — US 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
EP-3390357-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2018-10-24 — — EP disclosed
WO-2017106064-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2017-06-22 — — 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 (3 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 PTPN11 1888/4885ACACB 844/4885SUCNR1 2417/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX PTPN11 2551/4885ACACB 549/4885SUCNR1 2659/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX PTPN11 2477/4885ACACB 633/4885SUCNR1 2712/4885

“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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