SCHEMBL639859

SCHEMBL639859

COc1cc(C)c(S(=O)(=O)N2CCCCC2CCCO)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
HTR7 P34969 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
FKBP1A P62942 2/20 0.41
BDKRB1 P46663 1/20 0.41
CASP3 P42574 2/20 0.40
CASP7 P55210 2/20 0.40
CASP1 P29466 1/20 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
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL10246104 0.93 NPC1 (0.43) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL4404580 0.90 PSEN1 (0.46) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL10205747 0.89 NPC1 (0.41) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL639468 0.89 HTR7 (0.41) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL639832 0.88 CNR2 (0.43) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL3313366 0.88 CNR2 (0.43) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL698250 0.88 NPC1 (0.44) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL13368948 0.88 HTR7 (0.41) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL13649888 0.87 PSEN1 (0.53) NPC1RAB9AHTR7TMEM97SIGMAR1
SCHEMBL699956 0.87 NPC1 (0.44) NPC1RAB9AHTR7TMEM97SIGMAR1

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 NPC1 3845/4885RAB9A 211/4885HTR7 905/4885

“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.