SCHEMBL5458696

SCHEMBL5458696

CC(C)c1cc(C(C)C)c(CS(=O)(=O)N(C(=O)[O-])c2c(C(C)C)cccc2C(C)C)c(C(C)C)c1.[Na+]

nearest known ligand 0.44

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 11)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 1/20 0.33
GABRG2 known ✓ P18507 1/20 0.33
GABRB3 known ✓ P28472 1/20 0.33
SOAT2 O75908 1/20 0.44
MYC P01106 1/20 0.44
SOAT1 P35610 1/20 0.44
MAP2K3 P46734 1/20 0.44
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
FABP5 Q01469 1/20 0.36
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5475540 0.88 SOAT2 (0.46) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL8703488 0.76 SOAT2 (0.44) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL287564 0.75 SOAT2 (0.51) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL5973526 0.73 NLRP3 (0.35) GABRA1GABRG2GABRB3
SCHEMBL5973624 0.70
SCHEMBL7212816 0.70 SOAT2 (0.47) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL7081984 0.70
SCHEMBL8703489 0.68 FABP3 (0.40) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL7175248 0.68
SCHEMBL9081153 0.68 SOAT2 (0.41) SOAT2MYCSOAT1MAP2K3FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155832-A1 Use of sulfonamide compounds for the treatment of diabetes and/or obesity ASTRAZENECA AB (SE) 2007-07-05 US claimed
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US claimed
US-6117909-A TREATING CARDIOVASCULAR DISEASE SUCH AS STROKE, PERIPHERAL VASCULAR DISEASES, AND RESTENOSIS. WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
EP-0841913-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1998-05-20 EP claimed
WO-1997005868-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1997-02-20 WO claimed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP claimed
US-5491172-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-02-13 US claimed
WO-1994026702-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-11-24 WO claimed
US-20070155832-A1 Use of sulfonamide compounds for the treatment of diabetes and/or obesity ASTRAZENECA AB (SE) 2007-07-05 US disclosed
EP-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP disclosed
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US disclosed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
US-6117909-A TREATING CARDIOVASCULAR DISEASE SUCH AS STROKE, PERIPHERAL VASCULAR DISEASES, AND RESTENOSIS. WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
EP-0841913-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1998-05-20 EP disclosed
WO-1997005868-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1997-02-20 WO disclosed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP disclosed
US-5491172-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed
WO-1994026702-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-11-24 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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders NFKBIA, IKBKB, RELA GABRA1 3433/4885GABRG2 3050/4885GABRB3 1588/4885
US-20070155832-A1 Use of sulfonamide compounds for the treatment of diabetes and/or obesity GPR119, DGAT1, DGAT2 GABRA1 957/4885GABRG2 1434/4885GABRB3 218/4885

“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.