SCHEMBL706056

SCHEMBL706056

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.38
CASP7 P55210 7/20 0.38
CASP9 P55211 1/20 0.37
HTR7 P34969 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BDKRB1 P46663 1/20 0.36
FKBP1A P62942 1/20 0.36
CASP1 P29466 2/20 0.35

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
SCHEMBL3441884 0.89 CASP3 (0.38) CASP3CASP7CASP9HTR7TMEM97
SCHEMBL3441856 0.89 HTR7 (0.41) CASP3CASP7HTR7TMEM97SIGMAR1
SCHEMBL15267624 0.88 CASP3 (0.49) CASP3CASP7CASP9HTR7TMEM97
SCHEMBL13587278 0.86 CASP3 (0.41) CASP3CASP7CASP9HTR7BDKRB1
SCHEMBL13587101 0.85 CASP3 (0.41) CASP3CASP7CASP9HTR7TMEM97
SCHEMBL640467 0.84 CASP3 (0.40) CASP3CASP7CASP9HTR7TMEM97
SCHEMBL700919 0.84 BDKRB1 (0.41) CASP3CASP7NPC1RAB9ABDKRB1
SCHEMBL700918 0.84 BDKRB1 (0.41) CASP3CASP7NPC1RAB9ABDKRB1
SCHEMBL3764045 0.84 BDKRB1 (0.41) CASP3CASP7NPC1RAB9ABDKRB1
SCHEMBL3764050 0.84 BDKRB1 (0.41) CASP3CASP7NPC1RAB9ABDKRB1

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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262792-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 WO disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US 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 (2 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 CASP3 4032/4885CASP7 4389/4885CASP9 3663/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CASP3 3151/4885CASP7 2958/4885CASP9 2346/4885

“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.