SCHEMBL640103

SCHEMBL640103

O=S(=O)(O)CC1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.52
CNR1 P21554 1/20 0.52
POLB P06746 1/20 0.52
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KCNQ1 P51787 1/20 0.45
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45

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
Hydrochloric Acid SCHEMBL641356 0.99 BDKRB1 (0.51) BDKRB1CNR1POLBPSEN1PSEN2
SCHEMBL15267612 0.91 PSEN1 (0.57) BDKRB1CNR1POLBPSEN1PSEN2
SCHEMBL642161 0.89 BDKRB1 (0.51) BDKRB1CNR1POLB
SCHEMBL641354 0.89 BDKRB1 (0.50) BDKRB1CNR1POLBPSEN1PSEN2
SCHEMBL639275 0.88 BRD4 (0.57) BDKRB1CNR1POLBKCNQ1BRD4
SCHEMBL644955 0.85 BDKRB1 (0.58) BDKRB1CNR1POLB
SCHEMBL13587105 0.85 BDKRB1 (0.56) BDKRB1CNR1POLBKCNQ1
SCHEMBL5126196 0.84 BDKRB1 (0.53) BDKRB1CNR1POLB
SCHEMBL5803423 0.84 BDKRB1 (0.58) BDKRB1CNR1POLBKCNQ1BRD4
SCHEMBL13587273 0.84 PSEN1 (0.59) BDKRB1CNR1POLBPSEN1PSEN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2350003-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2011-08-03 EP disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
WO-2010051977-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2010-05-14 WO disclosed
WO-2010051977-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2010-05-14 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885CNR1 57/4885POLB 3390/4885

“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.