SCHEMBL3409950

SCHEMBL3409950

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(CCc3ccccc3)(N(C)C)CC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.40
AVPR1B P47901 2/20 0.38
AVPR1A P37288 3/20 0.38
MAPT P10636 1/20 0.37
KCNA3 P22001 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
SCHEMBL3411117 0.92 AVPR1A (0.38) AVPR1BAVPR1AMAPTKCNA3
SCHEMBL3412406 0.90 BDKRB1 (0.50) BDKRB1
SCHEMBL4111203 0.89 BDKRB1 (0.41) BDKRB1
SCHEMBL3409948 0.84 BDKRB1 (0.38) BDKRB1
SCHEMBL3412772 0.84 BDKRB1 (0.44) BDKRB1
SCHEMBL3406699 0.82 BDKRB1 (0.40) BDKRB1AVPR1A
SCHEMBL492675 0.80 BDKRB1 (0.41) BDKRB1AVPR1BAVPR1AMAPT
SCHEMBL3409729 0.79 MCHR1 (0.38) BDKRB1MAPT
SCHEMBL492742 0.79 BDKRB1 (0.41) BDKRB1MAPT
SCHEMBL3410704 0.79 NPSR1 (0.50)

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 3589/4885AVPR1B 1265/4885AVPR1A 848/4885

“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.