SCHEMBL2970096

SCHEMBL2970096

O=S(=O)(c1ccccc1)N1C[C@H](CI)O[C@@H](CI)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 2/20 0.44
RAB9A P51151 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2967842 1.00 POLB (0.49) POLBCYP2C9ALDH1A1L3MBTL1TP53
SCHEMBL2970095 1.00 POLB (0.49) POLBCYP2C9ALDH1A1L3MBTL1TP53
SCHEMBL2967667 0.85 LMNA (0.47) POLBCYP2C9ALDH1A1L3MBTL1TP53
SCHEMBL2963303 0.85 LMNA (0.47) POLBCYP2C9ALDH1A1L3MBTL1TP53
SCHEMBL27567172 0.83 KMT2A (0.49) POLBALDH1A1LMNAGAAKDM4E
Tetrahydrofuran SCHEMBL7611347 0.81 HTT (0.48) POLBALDH1A1LMNAGAAKMT2A
SCHEMBL13229554 0.79 CYP2C9 (0.53) POLBCYP2C9ALDH1A1L3MBTL1TP53
SCHEMBL11776237 0.77 CYP2C9 (0.52) POLBCYP2C9ALDH1A1L3MBTL1TP53
SCHEMBL11835973 0.76 ALDH1A1 (0.52) POLBCYP2C9ALDH1A1L3MBTL1TP53
SCHEMBL1922476 0.75 POLB (0.56) POLBCYP2C9ALDH1A1L3MBTL1TP53

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 POLB 389/4885CYP2C9 386/4885ALDH1A1 321/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B POLB 398/4885CYP2C9 228/4885ALDH1A1 557/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E POLB 592/4885CYP2C9 325/4885ALDH1A1 539/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E POLB 425/4885CYP2C9 278/4885ALDH1A1 534/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E POLB 592/4885CYP2C9 325/4885ALDH1A1 539/4885

“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.