SCHEMBL3408684

SCHEMBL3408684

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N2CCC(Cc3ccccc3)(N(C)C)CC2)c(C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
FKBP1A P62942 1/20 0.36
ACLY P53396 1/20 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
SCHEMBL3408728 0.92 BDKRB1 (0.40) BDKRB1HCRTR1HCRTR2LMNAMAPK1
SCHEMBL3408874 0.88 HCRTR1 (0.38) BDKRB1HCRTR1HCRTR2LMNAMAPK1
SCHEMBL3406175 0.87 BDKRB1 (0.41) BDKRB1HCRTR1HCRTR2OPRM1OPRL1
SCHEMBL3311493 0.85 OPRM1 (0.45) BDKRB1HCRTR1HCRTR2OPRM1OPRL1
SCHEMBL3407853 0.84 HCRTR1 (0.37) BDKRB1HCRTR1HCRTR2LMNAMAPK1
SCHEMBL3407195 0.83 HCRTR1 (0.39) BDKRB1HCRTR1HCRTR2ACLY
SCHEMBL3405986 0.81 MC4R (0.40) LMNA
SCHEMBL3828007 0.81 HCRTR1 (0.39) BDKRB1HCRTR1HCRTR2FKBP1A
SCHEMBL5128054 0.81 HCRTR1 (0.39) BDKRB1HCRTR1HCRTR2LMNAMAPK1
SCHEMBL642812 0.80 HCRTR1 (0.37) BDKRB1HCRTR1HCRTR2LMNAMAPK1

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 3589/4885HCRTR1 4142/4885HCRTR2 3980/4885

“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.