SCHEMBL2567962

SCHEMBL2567962

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NCCCn2ccnc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.54
PSEN2 P49810 3/20 0.54
APH1B Q8WW43 3/20 0.54
NCSTN Q92542 3/20 0.54
APH1A Q96BI3 3/20 0.54
PSENEN Q9NZ42 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.44
PKM P14618 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
QPCT Q16769 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL2568129 0.86 ACHE (0.48) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2560502 0.85 ACHE (0.48) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2569566 0.84 KMT2A (0.39) KMT2AMEN1MAPTTSHR
SCHEMBL2565133 0.84 ACHE (0.42) GAAKMT2AALDH1A1MEN1KDM4E
SCHEMBL2563013 0.84 KMT2A (0.42) KMT2AALDH1A1LMNA
SCHEMBL2570301 0.84 MAPK1 (0.50) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL2563790 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2569920 0.83 ACHE (0.44) MAPT
SCHEMBL2568761 0.82 BDKRB1 (0.42) KMT2ATSHR
SCHEMBL2570812 0.82 BDKRB1 (0.43) KMT2ALMNA

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-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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 PSEN1 1412/4885PSEN2 915/4885APH1B 2018/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PSEN1 1412/4885PSEN2 915/4885APH1B 2018/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 PSEN1 1412/4885PSEN2 915/4885APH1B 2018/4885

“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.