SCHEMBL1080488

SCHEMBL1080488

CC(C)(C)OC(=O)Nc1nc(CC(=O)O)ns1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LCK P06239 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PSMB8 P28062 1/20 0.37
PI4KB Q9UBF8 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
SCHEMBL7491402 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EHTTSMN1; SMN2NPC1
SCHEMBL8569581 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHTTSMN1; SMN2NPC1
SCHEMBL31728041 0.84 CA1 (0.42) ALDH1A1CA1CA2KDM4EHTT
SCHEMBL10840353 0.84 SMN1; SMN2 (0.43) ALDH1A1CA1CA2KDM4EHTT
SCHEMBL6757740 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHTTSMN1; SMN2NPC1
SCHEMBL8573205 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHTTSMN1; SMN2NPC1
SCHEMBL31337188 0.78 CA1 (0.50) CA1CA2SMN1; SMN2NPC1RAB9A
SCHEMBL31729274 0.77 PPARA (0.45) ALDH1A1CA1SMN1; SMN2NPC1RAB9A
SCHEMBL6800712 0.77 CA1 (0.46) CA1CA2LCKPSMB8PI4KB
SCHEMBL1519841 0.76 CA1 (0.44) CA1CA2SMN1; SMN2NPC1RAB9A

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 50 patents — showing the first 20. 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-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
CN-108778273-B Bicyclic aryl monocyclic beta-lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2022-06-17 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
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
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed
US-6150351-A ADMINISTERING AN EFFECTIVE AMOUNT OF THE CEPHEM COMPOUND TO A PATIENT SUFFERING FROM DISEASES CAUSED BY HELICOBACTER PYLORI FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-21 US disclosed
CN-1210539-A Cephem compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 1999-03-10 CN disclosed
EP-0164122-B1 CEPHEM COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1990-09-19 EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
US-4626535-A Cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1986-12-02 US disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0025017-A1 Polyazathia compounds, process for their preparation, pharmaceutical preparations containing such compounds and use of the latter CIBA-GEIGY AG (CH) 1981-03-11 EP disclosed
EP-0022245-A2 Aminothiadiazolyl derivatives, process for their preparation, pharmaceutical compositions containing them;starting compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-01-14 EP 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 ALDH1A1 2100/4885CA1 4211/4885CA2 1605/4885

“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.