SCHEMBL18991650

SCHEMBL18991650

CC(C)(C)OC(=O)NCC(Cn1cc(-c2ccc(OC[C@@H](O)C(=O)O)cc2F)cn1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ SERPINE1 P05121 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ SCN9A Q15858 1/20 0.30
▸ SCD O00767 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ PDK2 Q15119 1/20 0.30

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
SCHEMBL20565913 1.00 ALOX5AP (0.33) ALOX5APFEN1SERPINE1PTPN1SCN9A
SCHEMBL29357870 0.90 ALOX5AP (0.33) ALOX5APFEN1SERPINE1PTPN1SCN9A
SCHEMBL20566017 0.86 PTPN1 (0.36) ALOX5APFEN1PTPN1SCN9AFAAH
SCHEMBL18991385 0.86 PTPN1 (0.36) ALOX5APFEN1PTPN1SCN9AFAAH
SCHEMBL20566411 0.83 SERPINE1 (0.35) SERPINE1SCD
SCHEMBL20566410 0.83 SERPINE1 (0.35) SERPINE1SCD
SCHEMBL20566413 0.83 SERPINE1 (0.35) SERPINE1SCD
SCHEMBL18991109 0.82 ALOX5AP (0.41) ALOX5APFEN1SCN9ASCDFAAH
SCHEMBL18991107 0.82 ALOX5AP (0.41) ALOX5APFEN1SCN9ASCDFAAH
SCHEMBL20566637 0.81 GSK3B (0.34) SERPINE1SCD

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 3677/4885SERPINE1 4149/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX ALOX5AP 1208/4885FEN1 3713/4885SERPINE1 4079/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX ALOX5AP 1249/4885FEN1 3855/4885SERPINE1 4095/4885

“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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