Butane

Butane

SCHEMBL498343

CCC(NC(=O)c1ccccc1N=S(=O)=O)c1ccc(OC)nc1.CCCC

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 11/20 0.61
KCNK9 Q9NPC2 1/20 0.59
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE2A O00408 4/20 0.41
SLC8A1 P32418 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL31478899 0.78 KCNK3 (0.61) KCNK3KCNK9ALDH1A1LMNAPDE2A
SCHEMBL13801055 0.74 KCNK3 (1.00) KCNK3KCNK9PDE2A
SCHEMBL29761432 0.74 KCNK3 (1.00) KCNK3KCNK9PDE2A
SCHEMBL27620171 0.74 KCNK3 (0.66) KCNK3KCNK9KDM4EALDH1A1LMNA
SCHEMBL498597 0.74 KCNK3 (1.00) KCNK3KCNK9PDE2A
SCHEMBL498598 0.74 KCNK3 (1.00) KCNK3KCNK9PDE2A
SCHEMBL14306639 0.71 KCNK3 (0.55) KCNK3KCNK9PDE2ASLC8A1
SCHEMBL14498283 0.68 KCNA5 (0.77) KCNK3KCNK9ALDH1A1HPGDTSHR
SCHEMBL15166013 0.67 KCNK3 (1.00) KCNK3
SCHEMBL15166095 0.67 KCNK3 (1.00) KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106099-B2 2'-{[2-(4-methoxyphenyl)acetylamino]methyl}biphenyl-2-carboxylic acid (2-pyridin-3-ylethyl)amide or other phenylcarboxamide derivatives with dofetilide, ibutilide, almokalant, sotalol, azimilide, amiodarone, E4031, clofilium, ambasilide, MS551, tedisamil, bertosamil and quinidine as IKr chahel blocker SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-01-31 US disclosed
US-20090209767-A1 2-(Butyl-1-sulfonylamino)-n-[1(R)-(6-methoxy-pyridin-3-yl)-propyl]-benzamid, the use thereof in the form of drug an pharmaceutical preparations containing said compound SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-20 US disclosed
US-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-11 US disclosed
EP-2012758-A2 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL Sanofi-Aventis Deutschland GmbH (DE) 2009-01-14 EP disclosed
US-20080081926-A1 SULFONYLAMINOBENZOIC ACID AND SALT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-03 US disclosed
WO-2007124849-A2 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-08 WO disclosed
US-20070043091-A1 Kv1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-22 US disclosed
US-20060142350-A1 2-(Butyl-1-sulfonylamino)-N-[1(R)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-29 US disclosed
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-10 US disclosed
US-20050038083-A1 Combination of phenylcarboxamides with blockers of the IKr channel and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-17 US disclosed
US-20040192738-A1 2-(Butyl-1-sulfonylamino)-N-[1(R)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 US 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 (8 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-20050038083-A1 Combination of phenylcarboxamides with blockers of the IKr channel and their use for the treatment of atrial arrhythmias KCNH2, KCNJ2, KCNH1 KCNK3 33/4885KCNK9 43/4885KDM4E 267/4885
US-20060142350-A1 2-(Butyl-1-sulfonylamino)-N-[1(R)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it SCN1A, KCNH1, SCN1B KCNK3 84/4885KCNK9 119/4885KDM4E 2089/4885
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias SCN5A, KCNH1, KCNA5 KCNK3 84/4885KCNK9 114/4885KDM4E 1889/4885
US-20080081926-A1 SULFONYLAMINOBENZOIC ACID AND SALT SLC5A1, SLC5A2, SLC1A5 KCNK3 842/4885KCNK9 774/4885KDM4E 1727/4885
US-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL KCNN3, CACNA1I, KCNN1 KCNK3 18/4885KCNK9 106/4885KDM4E 1415/4885
US-20070043091-A1 Kv1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY KCNJ2, KCNH2, KCNK5 KCNK3 31/4885KCNK9 45/4885KDM4E 217/4885
US-20090209767-A1 2-(Butyl-1-sulfonylamino)-n-[1(R)-(6-methoxy-pyridin-3-yl)-propyl]-benzamid, the use thereof in the form of drug an pharmaceutical preparations containing said compound KCNH1, KCNA1, SCN5A KCNK3 80/4885KCNK9 99/4885KDM4E 1605/4885
US-20040192738-A1 2-(Butyl-1-sulfonylamino)-N-[1(R)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it SCN1A, SCN1B, KCNH1 KCNK3 111/4885KCNK9 142/4885KDM4E 2308/4885

“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.