SCHEMBL5128064

SCHEMBL5128064

O=C(O)COCC1CCCN1S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 10/20 0.42
CASP7 P55210 9/20 0.42
CASP1 P29466 5/20 0.42
BRD4 O60885 4/20 0.40
BRD2 P25440 4/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
BRD3 Q15059 3/20 0.37
BRDT Q58F21 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL5128556 0.97 CASP3 (0.41) CASP3CASP7CASP1BRD4BRD2
SCHEMBL4111241 0.88 CNR1 (0.43) CASP3CASP7CASP1PTGDR2CNR1
SCHEMBL4119264 0.85 CNR1 (0.42) CASP3CASP7CASP1PTGDR2CNR1
SCHEMBL5122263 0.84 ATM (0.44) CASP3CASP7CNR1
SCHEMBL2568550 0.82 BDKRB1 (0.43) CASP3CASP7CASP1BRD4BRD2
SCHEMBL5127990 0.82 CHRM4 (0.41) CASP3CASP7CASP1BRD4BRD2
SCHEMBL5125891 0.81 PKLR (0.41) CASP3CASP7CASP1BRD4BRD2
SCHEMBL5132594 0.81 ATM (0.46) CASP3CASP7PTGDR2CNR1
SCHEMBL3821931 0.80 S1PR2 (0.43) CASP3CASP7CASP1BRD4BRD2
SCHEMBL2565040 0.80 BDKRB1 (0.43) CASP3CASP7CASP1CNR1

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 14 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-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-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
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 CASP3 2157/4885CASP7 3504/4885CASP1 2545/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CASP3 2157/4885CASP7 3504/4885CASP1 2545/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CASP3 2157/4885CASP7 3504/4885CASP1 2545/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CASP3 2844/4885CASP7 3656/4885CASP1 1015/4885

“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.