SCHEMBL3409952

SCHEMBL3409952

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(c3ccccc3)(N3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.44
NPY1R P25929 1/20 0.36
KCNH2 Q12809 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3413431 0.93 BDKRB1 (0.43) BDKRB1NPC1
SCHEMBL3408124 0.92 BDKRB1 (0.41) BDKRB1
SCHEMBL3310098 0.91 BDKRB1 (0.40) BDKRB1NPY1RKCNH2RAB9ANPC1
SCHEMBL3314543 0.90 BDKRB1 (0.39) BDKRB1NPY1RKCNH2RAB9ANPC1
SCHEMBL3314535 0.90 BDKRB1 (0.39) BDKRB1NPY1RKCNH2RAB9ANPC1
SCHEMBL3408822 0.90 CYP3A4 (0.40) BDKRB1
SCHEMBL3412504 0.88 BDKRB1 (0.43) BDKRB1
SCHEMBL5127947 0.88 BDKRB1 (0.42) BDKRB1RAB9ANPC1
SCHEMBL2570760 0.87 BDKRB1 (0.52) BDKRB1
SCHEMBL3408262 0.87 BDKRB1 (0.42) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO claimed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 3589/4885NPY1R 2175/4885KCNH2 1264/4885

“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.