SCHEMBL2970099

SCHEMBL2970099

N#Cc1ccc(S(=O)(=O)CCCN2CC3CN(C(=O)O)CC(C2)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
EPHX2 P34913 3/20 0.40
CYP19A1 P11511 1/20 0.39
HRH1 P35367 5/20 0.37
HRH2 P25021 4/20 0.37
KMT2A Q03164 1/20 0.37
LOX P28300 1/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
OPRM1 P35372 1/20 0.36
HTR7 P34969 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MEN1 O00255 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL6095400 0.87 HTR7 (0.42) EPHX2CYP19A1HRH1HRH2HTR1A
SCHEMBL2963106 0.86 KCNH2 (0.41) KCNH2EPHX2CYP19A1HRH1HRH2
SCHEMBL4668187 0.86 KCNH2 (0.44) KCNH2EPHX2CYP19A1HRH1HRH2
SCHEMBL2956811 0.85 GPR119 (0.41) KCNH2HRH1HRH2
SCHEMBL2958687 0.84 LOX (0.44) KCNH2EPHX2HRH1HRH2KMT2A
SCHEMBL2962586 0.84 HTR1A (0.47) KCNH2HRH1HRH2HTR1ADRD4
SCHEMBL2966844 0.83 KCNH2 (0.41) KCNH2CYP19A1HRH1HRH2LOX
SCHEMBL2970004 0.83 KCNH2 (0.40) KCNH2EPHX2CYP19A1HRH1HRH2
SCHEMBL2961531 0.83 HRH2 (0.45) KCNH2EPHX2CYP19A1HRH1HRH2
SCHEMBL1618245 0.82 KCNH2 (0.38) KCNH2EPHX2CYP19A1HRH1HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 US disclosed
US-7351821-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-01 US disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 US disclosed
US-7164017-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-01-16 US disclosed
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP disclosed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP disclosed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 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 (5 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-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, RYR1 KCNH2 9/4885EPHX2 2653/4885CYP19A1 2286/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B KCNH2 11/4885EPHX2 2318/4885CYP19A1 1621/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885EPHX2 2891/4885CYP19A1 2048/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 12/4885EPHX2 2699/4885CYP19A1 1652/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885EPHX2 2891/4885CYP19A1 2048/4885

“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.