SCHEMBL3408736

SCHEMBL3408736

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N(C)CC2CCC(Cc3ccccc3)(N3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.37
FKBP1A P62942 4/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
AVPR1B P47901 1/20 0.32
AVPR1A P37288 1/20 0.32

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
SCHEMBL3408809 0.98 BDKRB1 (0.37) BDKRB1FKBP1ARAB9AAVPR1B
SCHEMBL3408488 0.96 FKBP1A (0.36) BDKRB1FKBP1ARAB9ANPC1
SCHEMBL3411163 0.94 BDKRB1 (0.36) BDKRB1FKBP1ARAB9ANPC1
SCHEMBL3406832 0.92 BDKRB1 (0.37) BDKRB1RAB9AAVPR1B
SCHEMBL3411123 0.90 BDKRB1 (0.37) BDKRB1FKBP1ARAB9ANPC1
SCHEMBL3409726 0.89 FKBP1A (0.35) BDKRB1FKBP1ARAB9ANPC1
SCHEMBL3408066 0.89 BDKRB1 (0.40) BDKRB1FKBP1ARAB9ANPC1
SCHEMBL3408446 0.88 PSEN1 (0.36) FKBP1A
SCHEMBL3412504 0.87 BDKRB1 (0.43) BDKRB1FKBP1A
SCHEMBL3408537 0.86 PSEN1 (0.36)

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
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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
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
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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 3589/4885FKBP1A 891/4885RAB9A 2485/4885

“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.