SCHEMBL9915439

SCHEMBL9915439

CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)O)c(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GCK P35557 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL15991616 1.00 LCK (0.39) LCKCA1CA2GCKPI4KB
SCHEMBL13437814 0.92 LCK (0.39) LCKCA1CA2PI4KB
SCHEMBL24635960 0.91 LCK (0.39) LCKCA1CA2PI4KB
SCHEMBL16002497 0.90 CA1 (0.40) LCKCA1CA2PI4KB
SCHEMBL24635957 0.89 LCK (0.37) LCKCA1CA2PI4KB
SCHEMBL13437782 0.83 LCK (0.39) LCKCA1CA2GCKPI4KB
SCHEMBL5674187 0.83 LCK (0.42) LCKCA1CA2
SCHEMBL7562740 0.83 LCK (0.42) LCKCA1CA2
SCHEMBL13451827 0.83
SCHEMBL9691876 0.82 KDM4E (0.30)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4074709-A1 MONOCYCLIC BETA-LACTAM COMPOUND AND USE THEREOF Evopoint Biosciences Co., Ltd. (CN) 2022-10-19 EP disclosed
WO-2021115444-A1 MONOCYCLIC β-LACTAM COMPOUND AND USE THEREOF 苏州信诺维医药科技股份有限公司 2021-06-17 WO disclosed
US-9630977-B2 Cephalosporin derivatives and pharmaceutical compositions thereof LEGOCHEM BIOSCIENCES, INC. (KR) 2017-04-25 US disclosed
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 EP disclosed
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 EP disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20130178455-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCES, INC (US) 2013-07-11 US disclosed
US-8329684-B2 Cephalosporin derivatives and pharmaceutical compositions thereof LEGOCHEM BIOSCIENCES, INC. (KR) 2012-12-11 US disclosed
US-20120264727-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2012-10-18 US disclosed
WO-2012134184-A2 NOVEL CEPHALOSPORIN DERIVATIVE AND MEDICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 (KR) 2012-10-04 WO disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 WO disclosed
US-7696354-B2 Cephem compounds having broad antibacterial spectrum SHIONOGI & CO., LTD. (JP) 2010-04-13 US disclosed
US-20090131655-A1 Cephem Compounds Having Broad Antibacterial Spectrum SHIONOGI & CO., LTD. 2009-05-21 US disclosed
US-7384928-B2 Broad spectrum cephem compounds SHIONOGI & CO., LTD. (JP) 2008-06-10 US 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 (6 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM LCK 2788/4885CA1 4714/4885CA2 2508/4885
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 LCK 3334/4885CA1 4723/4885CA2 2491/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM LCK 2788/4885CA1 4714/4885CA2 2508/4885
US-20090131655-A1 Cephem Compounds Having Broad Antibacterial Spectrum ZYX, NAT10, NAA50 LCK 2536/4885CA1 4258/4885CA2 1243/4885
US-20130178455-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF CSDE1, CELA1, ABCC1 LCK 4341/4885CA1 895/4885CA2 397/4885
US-20120264727-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF CSDE1, CELA1, ABCC1 LCK 4341/4885CA1 895/4885CA2 397/4885

“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.