SCHEMBL1619490

SCHEMBL1619490

CC(C)(C)OC(=O)NCCCOS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.58
CA2 P00918 9/20 0.58
CA12 O43570 5/20 0.58
CA9 Q16790 5/20 0.58
DRD2 P14416 5/20 0.52
IDO1 P14902 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
STS P08842 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
SCHEMBL5140689 0.91 CA1 (0.53) CA1CA2CA12CA9DRD2
SCHEMBL487585 0.89 CA1 (0.59) CA1CA2CA12CA9TDP1
SCHEMBL14740749 0.87 CA1 (0.57) CA1CA2CA12CA9DRD2
SCHEMBL2822013 0.85 CA1 (0.60) CA1CA2CA12CA9TDP1
SCHEMBL27138446 0.84 CA1 (0.55) CA1CA2CA12CA9TDP1
SCHEMBL23835564 0.84 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL29040473 0.84 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL29040410 0.84 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL4640090 0.84 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL16930099 0.84 CA1 (0.61) CA1CA2CA12CA9TDP1

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 6 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-20100041911-A1 Process For The Production Of (Alkoxycarbonylamino)alkyl Sulfonates ASTRAZENECA AB (SE) 2010-02-18 US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
CN-101243093-A New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-08-13 CN disclosed
EP-1896402-A1 PROCESS FOR THE PRODUCTION OF (ALKOXYCARBONYLAMINO)ALKYL SULFONATES AstraZeneca AB (SE) 2008-03-12 EP disclosed
WO-2006137774-A1 PROCESS FOR THE PRODUCTION OF (ALKOXYCARBONYLAMINO)ALKYL SULFONATES ASTRAZENECA AB (SE) 2006-12-28 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-20100041911-A1 Process For The Production Of (Alkoxycarbonylamino)alkyl Sulfonates HMOX2, CYP2S1, HAO2 CA1 2521/4885CA2 1616/4885CA12 2156/4885
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E CA1 2711/4885CA2 2142/4885CA12 4566/4885

“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.