SCHEMBL14033652

SCHEMBL14033652

COC(=O)CCC1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.55
POLB P06746 1/20 0.53
KCNQ1 P51787 1/20 0.51
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
CNR1 P21554 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL2201370 0.90 BDKRB1 (0.58) BDKRB1POLBKCNQ1HCRTR1HCRTR2
SCHEMBL5126196 0.89 BDKRB1 (0.53) BDKRB1POLBCNR1
SCHEMBL13587273 0.84 PSEN1 (0.59) BDKRB1POLBCNR1HTR7
SCHEMBL5803423 0.83 BDKRB1 (0.58) BDKRB1POLBKCNQ1CNR1
SCHEMBL642161 0.83 BDKRB1 (0.51) BDKRB1POLBCNR1HTR7
SCHEMBL3405321 0.82 BDKRB1 (0.55) BDKRB1POLBKCNQ1CNR1
SCHEMBL15267612 0.82 PSEN1 (0.57) BDKRB1POLBCNR1
SCHEMBL639275 0.82 BRD4 (0.57) BDKRB1POLBKCNQ1CNR1
SCHEMBL4118150 0.82 BDKRB1 (0.62) BDKRB1POLBKCNQ1CNR1
SCHEMBL644955 0.81 BDKRB1 (0.58) BDKRB1POLBCNR1

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 5 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-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
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 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 (1 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885POLB 3990/4885KCNQ1 397/4885

“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.