SCHEMBL18991109

SCHEMBL18991109

CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OCC(O)C(=O)O)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ PDK2 Q15119 2/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ SUCNR1 Q9BXA5 4/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ FAAH O00519 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ PTGS2 P35354 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
SCHEMBL18991107 1.00 ALOX5AP (0.41) ALOX5APFEN1PDK2DYRK1ASCN9A
SCHEMBL29357839 0.93 FEN1 (0.41) ALOX5APFEN1PDK2DYRK1ASCN9A
SCHEMBL18991476 0.90 STK17B (0.38) ALOX5APFEN1PDK2DYRK1ASUCNR1
SCHEMBL18991477 0.90 STK17B (0.38) ALOX5APFEN1PDK2DYRK1ASUCNR1
SCHEMBL20566580 0.87 SUCNR1 (0.42) DYRK1ASUCNR1CA12CA1CA2
SCHEMBL20566583 0.87 SUCNR1 (0.42) DYRK1ASUCNR1CA12CA1CA2
SCHEMBL20566482 0.86 FEN1 (0.40) ALOX5APFEN1PDK2SCN9AFAAH
SCHEMBL20566483 0.86 FEN1 (0.40) ALOX5APFEN1PDK2SCN9AFAAH
SCHEMBL18991385 0.85 PTPN1 (0.36) ALOX5APFEN1PDK2SCN9AFAAH
SCHEMBL20566017 0.85 PTPN1 (0.36) ALOX5APFEN1PDK2SCN9AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX5AP 1416/4885FEN1 3677/4885PDK2 4365/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX ALOX5AP 1208/4885FEN1 3713/4885PDK2 4062/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX ALOX5AP 1249/4885FEN1 3855/4885PDK2 4251/4885

“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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