SCHEMBL1619491

SCHEMBL1619491

Cc1ccc(S(=O)(=O)O)cc1CCCOc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.43
CACNA1H O95180 2/20 0.42
CACNA1B Q00975 2/20 0.42
HRH2 P25021 5/20 0.40
HRH1 P35367 5/20 0.40
HRH3 Q9Y5N1 3/20 0.39
MMP2 P08253 2/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
MMP3 P08254 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL28761846 0.85 BCHE (0.41) MAPTALDH1A1
SCHEMBL2964166 0.81 BRD4 (0.40) ALDH1A1
SCHEMBL10317771 0.79 S1PR3 (0.37) MAPTALDH1A1
SCHEMBL11022255 0.79 MEN1 (0.44) MAPTALDH1A1
SCHEMBL10598218 0.78 SNCA (0.39) MAPTALDH1A1
SCHEMBL9773406 0.78 CA12 (0.43)
SCHEMBL8927990 0.77 GAA (0.42) MAPTALDH1A1
SCHEMBL9364127 0.77 HTT (0.43) CACNA1BPPARA
SCHEMBL6259776 0.76 S1PR3 (0.36) MAPTALDH1A1
SCHEMBL10596213 0.75 ALDH1A1 (0.41) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed
US-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ASTRAZENECA AB (SE) 2010-09-02 US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 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 (2 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-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ADH1C, ADH5, ADH1A MAPT 4288/4885ALDH1A1 114/4885CACNA1H 1110/4885
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MAPT 4680/4885ALDH1A1 1142/4885CACNA1H 15/4885

“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.