Butane

Butane

SCHEMBL498354

CCCC.O=C(O)c1ccccc1N=S(=O)=O

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALOX15 P16050 1/20 0.43
IDE P14735 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
HPGD P15428 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MYC P01106 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41

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
Butane SCHEMBL4184555 0.98 ALDH1A1 (0.47) ALDH1A1TDP1ALOX15IDEKDM4E
SCHEMBL492025 0.91 ALDH1A1 (0.52) ALDH1A1TDP1ALOX15IDEKDM4E
Hydrochloric Acid SCHEMBL4180695 0.89 ALDH1A1 (0.50) ALDH1A1TDP1ALOX15IDEKDM4E
Toluene SCHEMBL9443913 0.85 AKR1C3 (0.45) ALDH1A1TDP1ALOX15IDEKDM4E
Phthalic Acid SCHEMBL1482851 0.77 ALDH1A1 (0.74) ALDH1A1TDP1ALOX15KDM4ECA12
Phthalic Acid SCHEMBL9132518 0.77 ALDH1A1 (0.74) ALDH1A1TDP1ALOX15KDM4ECA12
SCHEMBL11196043 0.75 AKR1C3 (0.52) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL3781544 0.75 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15IDEKDM4E
SCHEMBL7160218 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL4798110 0.74 ALDH1A1 (0.45) ALDH1A1TDP1ALOX15IDEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 ALDH1A1 1479/4885TDP1 3100/4885ALOX15 2567/4885
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 ALDH1A1 131/4885TDP1 1408/4885ALOX15 2200/4885
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias SCN5A, KCNH1, KCNA5 ALDH1A1 395/4885TDP1 4179/4885ALOX15 191/4885
US-20080081926-A1 SULFONYLAMINOBENZOIC ACID AND SALT SLC5A1, SLC5A2, SLC1A5 ALDH1A1 325/4885TDP1 3394/4885ALOX15 2719/4885
US-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL KCNN3, CACNA1I, KCNN1 ALDH1A1 3470/4885TDP1 485/4885ALOX15 1041/4885
US-20070043091-A1 Kv1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY KCNJ2, KCNH2, KCNK5 ALDH1A1 2679/4885TDP1 3534/4885ALOX15 3726/4885
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 ALDH1A1 123/4885TDP1 1415/4885ALOX15 1407/4885
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 ALDH1A1 103/4885TDP1 951/4885ALOX15 1693/4885

“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.