SCHEMBL2962876

SCHEMBL2962876

CS(=O)(=O)OCCCCc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2A6 P11509 1/20 0.42
LSS P48449 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 1/20 0.40
CYP19A1 P11511 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
MAPT P10636 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7417122 0.95 TSHR (0.47) TSHRHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL2961510 0.89 CYP2A6 (0.46) TSHRHSD17B10CYP2A6LSSCA12
SCHEMBL7959199 0.84 ALDH1A1 (0.51) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4503827 0.83 LSS (0.41) TSHRHSD17B10CYP2A6LSSCA12
SCHEMBL4503820 0.82 CYP19A1 (0.41) TSHRHSD17B10LSSCA12CA1
SCHEMBL2903095 0.81 MAPT (0.51) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL5633238 0.80 BCHE (0.51) TSHRHSD17B10ALDH1A1CYP2A6LSS
SCHEMBL26316551 0.80 ALDH1A1 (0.54) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL25275009 0.79 HDAC1 (0.56) KDM4EALDH1A1MMP9MAPTHRH1
SCHEMBL25228734 0.79 HDAC1 (0.56) KDM4EALDH1A1MMP9MAPTHRH1

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 16 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
CN-101265262-A New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-09-17 CN disclosed
CN-100379743-C Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-09 CN 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
CN-1399639-A Novel oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-02-26 CN 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 TSHR 2281/4885HSD17B10 2522/4885KDM4E 4163/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B TSHR 948/4885HSD17B10 2734/4885KDM4E 3938/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E TSHR 1296/4885HSD17B10 2975/4885KDM4E 4083/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E TSHR 1436/4885HSD17B10 2588/4885KDM4E 3987/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E TSHR 1296/4885HSD17B10 2975/4885KDM4E 4083/4885

“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.