SCHEMBL6468845

SCHEMBL6468845

CCN1CCN(C(C)=O)C(=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.39
BRD4 O60885 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
INMT O95050 2/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
FAAH O00519 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL9328091 0.84 GAA (0.45) GAAL3MBTL1POLBBRD4SMN1; SMN2
SCHEMBL3123660 0.82 NOTUM (0.39) BRD4
SCHEMBL5800179 0.82 GAA (0.44) GAAL3MBTL1POLBSMN1; SMN2KDM4E
SCHEMBL3224588 0.82 GAA (0.44) GAAL3MBTL1POLBBRD4SMN1; SMN2
SCHEMBL5800176 0.82 GAA (0.44) GAAL3MBTL1POLBSMN1; SMN2KDM4E
SCHEMBL15632414 0.81 GAA (0.46) GAAL3MBTL1POLBSMN1; SMN2KDM4E
SCHEMBL12919948 0.81 GAA (0.43) GAAL3MBTL1POLBSMN1; SMN2KDM4E
SCHEMBL12566554 0.80 GAA (0.48) GAAL3MBTL1POLBSMN1; SMN2KDM4E
SCHEMBL8821690 0.79 GAA (0.42) GAAL3MBTL1POLBBRD4SMN1; SMN2
SCHEMBL10772308 0.79 GAA (0.45) GAAL3MBTL1POLBSMN1; SMN2KDM4E

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
US-20180094139-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-04-05 US disclosed
US-9834681-B2 2,7-disubstituted cephalosporin derivatives as beta-lactamase substrates and methods for their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-12-05 US disclosed
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
US-9677112-B2 β-lactamase substrates and methods of their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-06-13 US disclosed
US-20150219653-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-06 US disclosed
US-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-18 US 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-20140274999-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME CORP. 2014-09-18 US disclosed
US-20110020240-A1 Use of bacterial beta-lactamase for in vitro diagnostics and in vivo imaging, diagnostics and therapeutics BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVER, THE 2011-01-27 US disclosed
EP-1556369-A1 PYRIDAZINONE-DERIVATIVES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2005-07-27 EP disclosed
WO-2004018451-A1 PYRIDAZINONE-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 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 (7 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-20140274999-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD GAA 2760/4885L3MBTL1 4302/4885POLB 2244/4885
US-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD GAA 2760/4885L3MBTL1 4302/4885POLB 2244/4885
US-20150111853-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD GAA 2760/4885L3MBTL1 4302/4885POLB 2244/4885
US-20180094139-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS NAALAD2, PEPD, DCXR GAA 82/4885L3MBTL1 1010/4885POLB 1176/4885
US-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS PGLS, ENGASE, BPHL GAA 14/4885L3MBTL1 488/4885POLB 536/4885
US-20150219653-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS NAALAD2, PEPD, DCXR GAA 82/4885L3MBTL1 1010/4885POLB 1176/4885
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, NRDC, NUCB2 GAA 1779/4885L3MBTL1 4789/4885POLB 81/4885

“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.