SCHEMBL639468

SCHEMBL639468

COc1cc(C)c(S(=O)(=O)N2CCCCC2CCCBr)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CASP1 P29466 2/20 0.40
CASP3 P42574 2/20 0.40
CASP7 P55210 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FKBP1A P62942 2/20 0.39
BDKRB1 P46663 1/20 0.37

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
SCHEMBL4404580 0.90 PSEN1 (0.46) HTR7TMEM97SIGMAR1CASP1CASP3
SCHEMBL639859 0.89 NPC1 (0.42) HTR7TMEM97SIGMAR1CASP1CASP3
SCHEMBL13368948 0.88 HTR7 (0.41) HTR7TMEM97SIGMAR1CASP1CASP3
SCHEMBL13649888 0.87 PSEN1 (0.53) HTR7TMEM97SIGMAR1CASP1CASP3
SCHEMBL699956 0.87 NPC1 (0.44) HTR7TMEM97SIGMAR1NPC1RAB9A
SCHEMBL10205747 0.87 NPC1 (0.41) HTR7TMEM97SIGMAR1CASP1CASP3
SCHEMBL639482 0.87 PSEN1 (0.41) HTR7TMEM97SIGMAR1CASP1CASP3
SCHEMBL3441934 0.87 HTR7 (0.40) HTR7TMEM97SIGMAR1CASP1CASP3
SCHEMBL2307993 0.86 HTR7 (0.43) HTR7TMEM97SIGMAR1CASP1CASP3
SCHEMBL10246104 0.86 NPC1 (0.43) HTR7TMEM97SIGMAR1CASP1CASP3

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 8 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

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 HTR7 905/4885TMEM97 1434/4885SIGMAR1 288/4885

“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.