SCHEMBL571406

SCHEMBL571406

COc1cc(C)c(S(=O)(=O)CNCCOCC(=O)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.35
PTPRB P23467 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15347788 0.99 BDKRB1 (0.37) BDKRB1POLBGAATSHRKDM4E
SCHEMBL4472823 0.90 KDM4E (0.39) BDKRB1POLBGAATSHRKDM4E
SCHEMBL4461535 0.88 FABP4 (0.43) POLBKDM4E
SCHEMBL4484350 0.86 TDP1 (0.36) POLBGAATSHRKDM4ETDP1
SCHEMBL4781829 0.85 BDKRB1 (0.36) BDKRB1KDM4ETDP1
SCHEMBL10008677 0.85 FABP4 (0.48) BDKRB1POLBGAATSHRTDP1
SCHEMBL492918 0.84 F2 (0.39) TSHR
SCHEMBL5125870 0.84 HTT (0.43) POLBGAATSHRTDP1HPGD
SCHEMBL4472447 0.84 BDKRB1 (0.51) BDKRB1
SCHEMBL3998878 0.81 FFAR4 (0.33) BDKRB1TSHRKDM4ETDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20130289049-A1 ACID ADDITION SALTS OF THE 2-[2-[[(4-METHOXY-2,6-DIMETHYLPHENYL)SULFONYL]-(METHYL)AMINO]ETHOXY]-N-METHYL-N-[3-(4-METHYLPIPERAZIN-1-YL)CYCLOHEXYL] ACETAMIDE AND THE USE THEREOF AS BRADYKININ B1 RECEPTORANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
EP-2601181-A1 ACID ADDITION SALTS OF THE 2-[2-[[(4-METHOXY-2,6-DIMETHYLPHENYL)SULFONYL]-(METHYL)AMINO]ETHOXY]-N-METHYL-N-[3-(4-METHYLPIPERAZIN-1-YL)CYCLOHEXYL]ACETAMIDE AND THE USE THEREOF AS BRADYKININ B1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-06-12 EP disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8207335-B2 Process for making certain compounds having B1 antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
WO-2012017027-A1 ACID ADDITION SALTS OF THE 2-[2-[[(4-METHOXY-2,6-DIMETHYLPHENYL)SULFONYL]-(METHYL)AMINO]ETHOXY]-N-METHYL-N-[3-(4-METHYLPIPERAZIN-1-YL)CYCLOHEXYL] ACETAMIDE AND THE USE THEREOF AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 WO disclosed
EP-2396308-A1 NEW PRODUCTION METHOD Boehringer Ingelheim International GmbH (DE) 2011-12-21 EP disclosed
EP-2240458-B1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
US-20110046106-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
EP-2240458-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS Boehringer Ingelheim International GmbH (DE) 2010-10-20 EP disclosed
US-20100210842-A1 PROCESS FOR PREPARING BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
WO-2009098051-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
WO-2008024692-A1 N-OXIDE ARYL SULFONES AND SULFOXIDES NEUROGEN CORPORATION (US) 2008-02-28 WO disclosed
WO-2007140383-A2 SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2007-12-06 WO disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 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 (7 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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R BDKRB1 11/4885POLB 1378/4885GAA 1470/4885
US-20130289049-A1 ACID ADDITION SALTS OF THE 2-[2-[[(4-METHOXY-2,6-DIMETHYLPHENYL)SULFONYL]-(METHYL)AMINO]ETHOXY]-N-METHYL-N-[3-(4-METHYLPIPERAZIN-1-YL)CYCLOHEXYL] ACETAMIDE AND THE USE THEREOF AS BRADYKININ B1 RECEPTORANTAGONISTS BDKRB1, BDKRB2, AGTR1 BDKRB1 1/4885POLB 1885/4885GAA 2512/4885
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 BDKRB1 1217/4885POLB 1783/4885GAA 215/4885
US-20100210842-A1 PROCESS FOR PREPARING CYP11B1, CYP11B2, CYP2F1 BDKRB1 226/4885POLB 429/4885GAA 1235/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885POLB 4295/4885GAA 4502/4885
US-20110046106-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS SULT2A1, SULT1A1, ARSA BDKRB1 178/4885POLB 4021/4885GAA 2548/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885POLB 3990/4885GAA 3363/4885

“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.