SCHEMBL2567959

SCHEMBL2567959

CN(C)CCCN1CCN(C(=O)COCC2CCCN2S(=O)(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.44
CASP3 P42574 6/20 0.36
CASP7 P55210 6/20 0.36
CASP1 P29466 4/20 0.36
SLC6A5 Q9Y345 1/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
TACR1 P25103 4/20 0.34
TACR2 P21452 3/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL2567283 0.88 BDKRB1 (0.45) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2568592 0.85 BDKRB1 (0.44) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2568550 0.84 BDKRB1 (0.43) BDKRB1CASP3CASP7CASP1BRD4
SCHEMBL14411622 0.84 BDKRB1 (0.53) BDKRB1
SCHEMBL2568605 0.83 HTR7 (0.51) BDKRB1CASP3CASP7CASP1
SCHEMBL2566627 0.83 BDKRB1 (0.47) BDKRB1CASP3CASP7CASP1
SCHEMBL2564660 0.83 BDKRB1 (0.43) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2565040 0.82 BDKRB1 (0.43) BDKRB1CASP3CASP7CASP1PSEN1
SCHEMBL2570103 0.81 HTR7 (0.49) BDKRB1CASP3CASP7CASP1PSEN1
SCHEMBL2564852 0.80 CYP3A4 (0.38) BDKRB1CASP3CASP7PSEN1PSEN2

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 10 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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 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
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 (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 2368/4885CASP3 2157/4885CASP7 3504/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CASP3 2157/4885CASP7 3504/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CASP3 2157/4885CASP7 3504/4885

“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.