SCHEMBL4119264

SCHEMBL4119264

O=C(O)COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
ACLY P53396 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FFAR1 O14842 2/20 0.38
CASP3 P42574 5/20 0.37
CASP7 P55210 4/20 0.37
FKBP1A P62942 1/20 0.37
LTA4H P09960 1/20 0.36
CASP1 P29466 2/20 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
SCHEMBL4111241 0.97 CNR1 (0.43) CNR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5132594 0.89 ATM (0.46) CNR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5128556 0.88 CASP3 (0.41) CNR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5122263 0.85 ATM (0.44) CNR1FFAR1CASP3CASP7
SCHEMBL5128064 0.85 CASP3 (0.42) CNR1PTGDR2CASP3CASP7CASP1
SCHEMBL2565946 0.84 CNR1 (0.42) CNR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2565005 0.83 KDM4E (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5093730 0.83 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5088383 0.82 TSHR (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2202674 0.82 PTGDR2 (0.40) CNR1PSEN1PSEN2APH1BNCSTN

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 15 patents. 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-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-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 CNR1 81/4885PSEN1 1412/4885PSEN2 915/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CNR1 81/4885PSEN1 1412/4885PSEN2 915/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CNR1 81/4885PSEN1 1412/4885PSEN2 915/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CNR1 6/4885PSEN1 784/4885PSEN2 878/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CNR1 45/4885PSEN1 3663/4885PSEN2 2905/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CNR1 672/4885PSEN1 575/4885PSEN2 488/4885

“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.