SCHEMBL3772670

SCHEMBL3772670

COc1ccc2cc(S(=O)(=O)[O-])ccc2c1.[Na+]

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 2/20 0.50
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 4/20 0.54
PLAU P00749 4/20 0.54
TSHR P16473 3/20 0.54
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL27495132 0.96 MEN1 (0.54) MEN1KMT2AL3MBTL1KDM4EPLAU
SCHEMBL4016085 0.96 MEN1 (0.57) MEN1KMT2AL3MBTL1KDM4EPLAU
SCHEMBL305422 0.83 LMNA (0.56) KMT2AL3MBTL1LMNATDP1
SCHEMBL4016323 0.83 KMT2A (0.51) MEN1KMT2AL3MBTL1PLAUTSHR
SCHEMBL7503901 0.82 PTGS2 (0.64) MEN1KMT2AL3MBTL1KDM4EPLAU
SCHEMBL10497942 0.81 PKM (0.67) HTTPTGS2PKM
SCHEMBL18007557 0.81 LMNA (0.60) MEN1KMT2AL3MBTL1KDM4EPLAU
SCHEMBL1726389 0.81 MEN1 (0.61) MEN1KMT2AL3MBTL1KDM4EPLAU
SCHEMBL28564051 0.81 NFE2L2 (0.51) LMNATDP1PKM
SCHEMBL132263 0.81 MEN1 (0.57) MEN1KMT2AL3MBTL1KDM4EPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
CN-101553481-A Substituted sulfonamide derivatives GRUENENTHAL GMBH (DE) 2009-10-07 CN disclosed
EP-1085540-B1 SOLID ELECTROLYTIC CAPACITOR AND METHOD FOR PREPARING THE SAME SHOWA DENKO KK (JP) 2009-07-01 EP disclosed
EP-1158551-B1 SOLID ELECTROLYTIC CAPACITOR AND ITS PRODUCTION METHOD SHOWA DENKO KK (JP) 2008-11-19 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
EP-1811532-A2 Solid electrolytic capacitor and method for producing the same SHOWA DENKO KABUSHIKI KAISHA (JP) 2007-07-25 EP disclosed
EP-1190426-B1 SOLID ELECTROLYTIC CAPACITOR AND METHOD FOR PRODUCING THE SAME SHOWA DENKO KK (JP) 2007-05-30 EP disclosed
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
EP-1085540-A1 SOLID ELECTROLYTIC CAPACITOR AND METHOD FOR PREPARING THE SAME Showa Denko K K (JP) 2001-03-21 EP disclosed
WO-2000060620-A1 SOLID ELECTROLYTIC CAPACITOR AND METHOD FOR PRODUCING THE SAME SHOWA DENKO K. K. (JP) 2000-10-12 WO disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
CN-1190395-A Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds RHONE POULENC RORER PHARMA (US) 1998-08-12 CN disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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 (4 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PTGS2 182/4885MEN1 4354/4885KMT2A 1686/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PTGS2 182/4885MEN1 4354/4885KMT2A 1686/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 PTGS2 182/4885MEN1 4354/4885KMT2A 1686/4885
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 PTGS2 666/4885MEN1 998/4885KMT2A 4104/4885

“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.