SCHEMBL2563595

SCHEMBL2563595

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N2CCC(N3CCCC3)CC2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.54
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EBP Q15125 1/20 0.41
DHCR7 Q9UBM7 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL14411629 1.00 BDKRB1 (0.54) BDKRB1CYP2D6CYP2C19NPSR1EBP
SCHEMBL2568305 0.99 BDKRB1 (0.53) BDKRB1CYP2D6CYP2C19NPSR1EBP
SCHEMBL14411601 0.99 BDKRB1 (0.53) BDKRB1CYP2D6CYP2C19NPSR1EBP
SCHEMBL14411596 0.94 BDKRB1 (0.53) BDKRB1EBPDHCR7
SCHEMBL2567155 0.94 BDKRB1 (0.63) BDKRB1
SCHEMBL2570551 0.93 BDKRB1 (0.52) BDKRB1CYP2D6CYP2C19NPSR1
SCHEMBL14411600 0.93 BDKRB1 (0.51) BDKRB1
SCHEMBL2568702 0.93 BDKRB1 (0.62) BDKRB1CYP2D6CYP2C19NPSR1
SCHEMBL2565953 0.93 BDKRB1 (0.51) BDKRB1
SCHEMBL2564394 0.93 BDKRB1 (0.53) BDKRB1CYP2D6CYP2C19NPSR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP 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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (3 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 BDKRB1 2368/4885CYP2D6 307/4885CYP2C19 283/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CYP2D6 307/4885CYP2C19 283/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CYP2D6 307/4885CYP2C19 283/4885

“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.