SCHEMBL2566009

SCHEMBL2566009

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CCR4 P51679 3/20 0.45
CCR5 P51681 2/20 0.41
BDKRB1 P46663 1/20 0.41
MCHR1 Q99705 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
WNK1 Q9H4A3 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3771269 1.00 MEN1 (0.45) MEN1KMT2ACCR4CCR5BDKRB1
SCHEMBL3771103 0.98 MEN1 (0.43) MEN1KMT2ACCR4CCR5BDKRB1
SCHEMBL2563552 0.98 MEN1 (0.43) MEN1KMT2ACCR4CCR5BDKRB1
SCHEMBL2567023 0.87 CCR4 (0.43) CCR4MCHR1DRD2DRD4CHRM2
SCHEMBL2567955 0.84 CCR4 (0.43) MEN1KMT2ACCR4CCR5DRD2
SCHEMBL3775698 0.84 CCR4 (0.43) MEN1KMT2ACCR4CCR5DRD2
SCHEMBL2568968 0.84 BDKRB1 (0.46) BDKRB1
SCHEMBL2569105 0.82 SIGMAR1 (0.56) KMT2ACCR4MCHR1POLBL3MBTL1
SCHEMBL3775809 0.82 KCNH2 (0.46) MEN1KMT2ACCR4CCR5MCHR1
SCHEMBL2565979 0.82 KCNH2 (0.46) MEN1KMT2ACCR4CCR5MCHR1

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 MEN1 4354/4885KMT2A 1686/4885CCR4 3875/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MEN1 4354/4885KMT2A 1686/4885CCR4 3875/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MEN1 4354/4885KMT2A 1686/4885CCR4 3875/4885

“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.