SCHEMBL4401630

SCHEMBL4401630

O=S(=O)(c1ccc(Cl)c(Cl)c1)N1c2ccccc2CCC1CO

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.55
PSEN1 P49768 11/20 0.53
PSEN2 P49810 11/20 0.53
APH1B Q8WW43 11/20 0.53
NCSTN Q92542 11/20 0.53
APH1A Q96BI3 11/20 0.53
PSENEN Q9NZ42 11/20 0.53
APP P05067 5/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL8359120 0.87 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15267613 0.84 PSEN1 (0.52) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL493248 0.83 PSEN1 (0.54) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL13007708 0.82 PSEN1 (0.55) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4123662 0.82 PSEN1 (0.50) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL13587282 0.82 PSEN1 (0.53) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL13587102 0.81 PSEN1 (0.49) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4118803 0.81 PSEN1 (0.56) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4118802 0.80 BDKRB1 (0.54) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4403417 0.79 BDKRB1 (0.49) BDKRB1PSEN1PSEN2APH1BNCSTN

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 38 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-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
WO-2009090055-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO 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-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885PSEN1 1412/4885PSEN2 915/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885PSEN1 784/4885PSEN2 878/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD BDKRB1 1622/4885PSEN1 3663/4885PSEN2 2905/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A BDKRB1 1696/4885PSEN1 2453/4885PSEN2 2862/4885

“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.