SCHEMBL640467

SCHEMBL640467

COc1cc(C)c(S(=O)(=O)N2CCCCC2COS(C)(=O)=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.40
CASP7 P55210 5/20 0.40
CASP9 P55211 1/20 0.40
HTR7 P34969 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
FKBP1A P62942 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 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
SCHEMBL641362 0.88 CASP3 (0.43) CASP3CASP7HTR7TMEM97SIGMAR1
SCHEMBL15267624 0.87 CASP3 (0.49) CASP3CASP7CASP9HTR7TMEM97
SCHEMBL2934286 0.86 HTR7 (0.40) HTR7TMEM97SIGMAR1NPC1RAB9A
SCHEMBL3313366 0.85 CNR2 (0.43) HTR7TMEM97SIGMAR1NPC1RAB9A
SCHEMBL639832 0.85 CNR2 (0.43) HTR7TMEM97SIGMAR1NPC1RAB9A
SCHEMBL640463 0.85 RAB9A (0.41) HTR7TMEM97SIGMAR1NPC1RAB9A
SCHEMBL13587278 0.85 CASP3 (0.41) CASP3CASP7CASP9HTR7FKBP1A
SCHEMBL3441671 0.85 FKBP1A (0.42) CASP3CASP7CASP9NPC1RAB9A
SCHEMBL13649888 0.84 PSEN1 (0.53) CASP3CASP7HTR7TMEM97SIGMAR1
SCHEMBL706056 0.84 CASP3 (0.38) CASP3CASP7CASP9HTR7TMEM97

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 CASP3 2532/4885CASP7 2737/4885CASP9 729/4885

“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.