SCHEMBL2569313

SCHEMBL2569313

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
USP2 O75604 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
ALOX15 P16050 2/20 0.51
NR4A1 P22736 2/20 0.51
MCL1 Q07820 1/20 0.51
PTK2B Q14289 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ESR2 Q92731 1/20 0.48
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
PAX8 Q06710 1/20 0.42

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
SCHEMBL2572091 0.95 MAPT (0.51) MAPTUSP2KMT2AKDM4EALDH1A1
SCHEMBL2570915 0.93 MAPT (0.45) MAPTUSP2KMT2AKDM4EALDH1A1
SCHEMBL2568309 0.90 MAPT (0.47) MAPTUSP2KMT2AKDM4EALDH1A1
SCHEMBL2563906 0.88 CA1 (0.41) KMT2AALDH1A1POLB
SCHEMBL2568171 0.88 GAA (0.51) MAPTKMT2AKDM4EALDH1A1MAPK1
SCHEMBL2568313 0.88 ALDH1A1 (0.43) MAPTKMT2AKDM4EALDH1A1MAPK1
SCHEMBL2564364 0.88 CYP3A4 (0.45) MAPTUSP2KMT2AKDM4EALDH1A1
SCHEMBL2565776 0.86 CA1 (0.41) POLBRAB9ANPC1
SCHEMBL2565835 0.86 GAA (0.46) KMT2AKDM4EMAPK1GAAPOLB
SCHEMBL4128949 0.85 RAB9A (0.40) KMT2AMEN1RAB9ANPC1PAX8

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 MAPT 2195/4885USP2 2278/4885KMT2A 1686/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MAPT 2195/4885USP2 2278/4885KMT2A 1686/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MAPT 2195/4885USP2 2278/4885KMT2A 1686/4885

“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.