SCHEMBL2569987

SCHEMBL2569987

CN1CCC(N2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.46
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
PSEN1 P49768 6/20 0.38
PSEN2 P49810 6/20 0.38
APH1B Q8WW43 6/20 0.38
NCSTN Q92542 6/20 0.38
APH1A Q96BI3 6/20 0.38
PSENEN Q9NZ42 6/20 0.38
THRB P10828 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2569646 0.95 BDKRB1 (0.46) BDKRB1L3MBTL3L3MBTL1CNR1PSEN1
SCHEMBL2565946 0.94 CNR1 (0.42) BDKRB1CNR1PSEN1PSEN2APH1B
SCHEMBL15204220 0.93 BDKRB1 (0.44) BDKRB1L3MBTL3L3MBTL1HRH3PSEN1
Hydrochloric Acid SCHEMBL2563958 0.92 BDKRB1 (0.44) BDKRB1L3MBTL3L3MBTL1HRH3PSEN1
SCHEMBL2568024 0.91 BDKRB1 (0.44) BDKRB1L3MBTL3L3MBTL1CNR1HRH3
SCHEMBL2569077 0.91 PSEN1 (0.42) CNR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2565040 0.91 BDKRB1 (0.43) BDKRB1L3MBTL3L3MBTL1CNR1PSEN1
Hydrochloric Acid SCHEMBL2565202 0.90 BDKRB1 (0.43) BDKRB1L3MBTL3L3MBTL1CNR1HRH3
SCHEMBL2563884 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2568852 0.90 BDKRB1 (0.41) BDKRB1L3MBTL3L3MBTL1HRH3PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US claimed
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
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
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 2368/4885L3MBTL3 4721/4885L3MBTL1 4648/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885L3MBTL3 4721/4885L3MBTL1 4648/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885L3MBTL3 4721/4885L3MBTL1 4648/4885

“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.