SCHEMBL2964170

SCHEMBL2964170

Cc1ccc(S(=O)(=O)O)c(CCCNc2ccc(C#N)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.40
RORC P51449 4/20 0.38
IDO1 P14902 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD11B1 P28845 2/20 0.35
IDH1 O75874 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
HTT P42858 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL2964166 0.79 BRD4 (0.40) RORCIDO1ALDH1A1HSD11B1IDH1
SCHEMBL9663517 0.77 ALDH1A1 (0.44) TBXA2RALDH1A1
SCHEMBL16634084 0.77 SCN8A (0.50) TBXA2RIDH1NOS1
SCHEMBL16633108 0.77 SCN8A (0.40) TBXA2RIDH1NOS1
SCHEMBL29975298 0.76 GAA (0.39) ALDH1A1LMNAHTT
SCHEMBL5718625 0.76 GAA (0.39) ALDH1A1LMNAHTT
SCHEMBL30723203 0.76 GAA (0.39) ALDH1A1LMNA
SCHEMBL816601 0.76 GAA (0.39) ALDH1A1LMNA
SCHEMBL16633107 0.76 TBXA2R (0.38) TBXA2R
SCHEMBL8082255 0.75 GAA (0.38) ALDH1A1LMNAHTT

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 35 patents — showing the first 20. 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-20070197519-A1 New Process For The Preparation Of Oxabispidines ASTRAZENECA AB (SE) 2007-08-23 US disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 US disclosed
US-7217708-B2 Cardiovascular disorders ASTRAZENECA AB (SE) 2007-05-15 US disclosed
US-7169921-B2 Process for the preparation of oxabispidines ASTRAZENECA AB (SE) 2007-01-30 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
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US disclosed
EP-1330461-A1 NEW OXABISPIDINE COMPOUND USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-07-30 EP 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
WO-2002083687-A1 3,7-DIAZYBICYCLO [3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083689-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083690-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2002028863-A1 NEW OXABISPIDINE COMPOUND USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-04-11 WO 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 (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-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, RYR1 TBXA2R 746/4885RORC 2257/4885IDO1 2183/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B TBXA2R 965/4885RORC 3194/4885IDO1 1942/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E TBXA2R 610/4885RORC 2103/4885IDO1 2405/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E TBXA2R 631/4885RORC 2513/4885IDO1 2499/4885
US-20070197519-A1 New Process For The Preparation Of Oxabispidines TST, IDH3B, INTS6 TBXA2R 577/4885RORC 4487/4885IDO1 770/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E TBXA2R 610/4885RORC 2103/4885IDO1 2405/4885

“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.