SCHEMBL7211199

SCHEMBL7211199

CC(C)c1cc(C(C)C)c(OCC(=O)c2ccc(C(C)C)c(OS(N)(=O)=O)c2C(C)C)c(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.39
MYC P01106 1/20 0.39
SOAT1 P35610 1/20 0.39
MAP2K3 P46734 1/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
SRD5A2 P31213 1/20 0.35
RARG P13631 6/20 0.34
RXRA P19793 6/20 0.34
PPARG P37231 6/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 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
SCHEMBL5704825 0.90 CA12 (0.39) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7574177 0.85 SOAT2 (0.49) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL9078229 0.84 SOAT2 (0.48) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7206282 0.83 SOAT2 (0.43) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7207513 0.80 SOAT2 (0.38) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7211220 0.80 SOAT2 (0.38) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7211224 0.78 SOAT2 (0.36) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7211202 0.77 CA12 (0.38) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7206855 0.77 SOAT2 (0.36) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7207511 0.76 STS (0.48) CA12CA1CA2CA9

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
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 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
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
EP-0698010-B1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER LAMBERT CO (US) 1999-04-14 EP 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
US-5633287-A 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) 1997-05-27 US 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