SCHEMBL9016599

SCHEMBL9016599

Nc1nc(/C(=N/O)C(=O)O)ns1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL8573096 1.00 GAA (0.32) GAACYP2C19ADORA3ADORA2AADORA2B
SCHEMBL9876380 1.00 GAA (0.32) GAACYP2C19ADORA3ADORA2AADORA2B
SCHEMBL3078362 0.87 GAA (0.37) GAACYP2C19
SCHEMBL27813307 0.84
SCHEMBL12306342 0.84 ADORA3 (0.31) ADORA3ADORA2AADORA2BADORA1
SCHEMBL3078360 0.84
SCHEMBL27706231 0.84
SCHEMBL16091103 0.84
SCHEMBL27726845 0.81 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1
SCHEMBL27813308 0.81 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103275104-A Preparation method of ceftobiprole and ceftobiprole medocaril SUZHOU MINGYUE MEDICAL TECHNOLOGY CO LTD 2013-09-04 CN claimed
EP-0111934-B1 CEPHALOSPORIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP claimed
WO-2019070973-A1 CEPHEM COMPOUNDS WITH LATENT REACTIVE GROUPS GLADIUS PHARMACEUTICALS CORPORATION (CA) 2019-04-11 WO disclosed
US-20150111853-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME CORP. 2015-04-23 US disclosed
US-9006421-B2 Cephalosporin compositions and methods of manufacture CUBIST PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed
WO-2014152763-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CUBIST PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME LLC 2014-09-18 US disclosed
US-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME LLC 2014-09-18 US disclosed
CN-103275104-A Preparation method of ceftobiprole and ceftobiprole medocaril SUZHOU MINGYUE MEDICAL TECHNOLOGY CO LTD 2013-09-04 CN disclosed
EP-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed
EP-0111934-B1 CEPHALOSPORIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed
EP-0111934-A2 Cephalosporin derivatives and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-27 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 (2 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-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD GAA 2760/4885CYP2C19 122/4885ADORA3 3363/4885
US-20150111853-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD GAA 2760/4885CYP2C19 122/4885ADORA3 3363/4885

“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.