SCHEMBL2564263

SCHEMBL2564263

O=C(O)COCC1CCCCN1S(=O)(=O)c1csc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.48
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
HTR7 P34969 9/20 0.40
HTR1A P08908 7/20 0.40
DRD2 P14416 7/20 0.40
HTR6 P50406 7/20 0.40
HTR2A P28223 6/20 0.40
HTR1D P28221 2/20 0.39
HTR2B P41595 2/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
CASP3 P42574 1/20 0.38
COMT P21964 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL5121394 0.83 BDKRB1 (0.42) BDKRB1TDP1HTR7HTR1ADRD2
SCHEMBL5132145 0.82 HTR7 (0.57) HTR7HTR1ADRD2HTR2AHTR1D
SCHEMBL2569440 0.82 ACHE (0.45) BDKRB1TDP1POLBHTR7HTR1A
SCHEMBL2564342 0.82 BDKRB1 (0.44) BDKRB1HTR7HTR1ADRD2HTR6
SCHEMBL2569271 0.81 BDKRB1 (0.44) BDKRB1HTR7HTR1ADRD2HTR6
SCHEMBL14048027 0.80 ALDH1A1 (0.44) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3636050 0.78 ATM (0.48) TDP1HTR7HTR1ADRD2HTR2A
SCHEMBL5122788 0.78 MEN1 (0.43) BDKRB1POLBHTR7HTR1ADRD2
SCHEMBL3441492 0.78 HCRTR1 (0.48) POLBALDH1A1KMT2AMCOLN3CASP3
SCHEMBL699933 0.78 HCRTR1 (0.48) POLBALDH1A1KMT2AMCOLN3CASP3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
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
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
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-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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
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 (4 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 2368/4885TDP1 3676/4885POLB 2852/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885TDP1 3676/4885POLB 2852/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885TDP1 3676/4885POLB 2852/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885TDP1 4129/4885POLB 3990/4885

“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.