SCHEMBL2564342

SCHEMBL2564342

CN1CCC(N2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3csc4ccccc34)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.44
ACHE P22303 3/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.37
HTR6 P50406 2/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR7 P34969 4/20 0.36
HTR1D P28221 2/20 0.36
HTR2B P41595 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL2569440 0.97 ACHE (0.45) BDKRB1ACHEKDM4ESMN1; SMN2MAPT
SCHEMBL2569271 0.90 BDKRB1 (0.44) BDKRB1MAPTHTR6HTR7HTR1D
SCHEMBL2568636 0.86 HTR7 (0.51) BDKRB1ACHEKDM4ESMN1; SMN2HTR7
SCHEMBL15204103 0.85 BDKRB1 (0.43) BDKRB1ACHEKDM4ESMN1; SMN2L3MBTL3
SCHEMBL15204075 0.85 BDKRB1 (0.45) BDKRB1ACHEKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2567478 0.85 BDKRB1 (0.42) BDKRB1ACHEKDM4ESMN1; SMN2L3MBTL3
Hydrochloric Acid SCHEMBL2570455 0.84 BDKRB1 (0.44) BDKRB1ACHEKDM4ESMN1; SMN2MAPT
SCHEMBL15204065 0.84 ACHE (0.42) BDKRB1ACHEKDM4ESMN1; SMN2L3MBTL3
SCHEMBL15204151 0.84 ALDH1A1 (0.44) BDKRB1ACHEKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2566119 0.84 ACHE (0.42) BDKRB1ACHEKDM4ESMN1; SMN2L3MBTL3

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 19 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
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
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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US 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
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US 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 2368/4885ACHE 1236/4885KDM4E 3171/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885ACHE 1236/4885KDM4E 3171/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885ACHE 1236/4885KDM4E 3171/4885

“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.