SCHEMBL2568852

SCHEMBL2568852

CN1CCC(N2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.41
THRB P10828 1/20 0.41
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 0.40
NCSTN Q92542 8/20 0.40
APH1A Q96BI3 8/20 0.40
PSENEN Q9NZ42 8/20 0.40
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL15204173 0.91 BDKRB1 (0.43) BDKRB1THRBPSEN1PSEN2APH1B
SCHEMBL15204065 0.90 ACHE (0.42) BDKRB1THRBPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL2565820 0.90 BDKRB1 (0.42) BDKRB1THRBPSEN1PSEN2APH1B
SCHEMBL2569987 0.90 BDKRB1 (0.46) BDKRB1THRBPSEN1PSEN2APH1B
SCHEMBL2565021 0.90 HCRTR1 (0.44) BDKRB1THRBL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL2566119 0.89 ACHE (0.42) BDKRB1THRBPSEN1PSEN2APH1B
SCHEMBL15204081 0.87 BDKRB1 (0.40) BDKRB1THRBPSEN1PSEN2APH1B
SCHEMBL15204129 0.87 BDKRB1 (0.45) BDKRB1THRBL3MBTL3L3MBTL1NPSR1
SCHEMBL2568024 0.86 BDKRB1 (0.44) BDKRB1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL2570810 0.86 BDKRB1 (0.44) BDKRB1THRBL3MBTL3L3MBTL1HRH3

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 2368/4885THRB 2928/4885PSEN1 1412/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885THRB 2928/4885PSEN1 1412/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885THRB 2928/4885PSEN1 1412/4885

“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.