SCHEMBL5131373

SCHEMBL5131373

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCCC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL5131924 0.92 MEN1 (0.42) BDKRB1DRD2DRD4DRD3ALDH1A1
SCHEMBL5131979 0.92 HSD11B1 (0.40) BDKRB1DRD2DRD3ALDH1A1
SCHEMBL5132121 0.92 BDKRB1 (0.41) BDKRB1DRD2DRD4DRD3
SCHEMBL5131948 0.90 BDKRB1 (0.42) BDKRB1DRD2DRD4DRD3
SCHEMBL5123805 0.86 OPRM1 (0.43) BDKRB1DRD2DRD4DRD3
SCHEMBL5128645 0.84 MEN1 (0.43) BDKRB1DRD2DRD4DRD3ALDH1A1
SCHEMBL5127947 0.84 BDKRB1 (0.42) BDKRB1ALDH1A1
SCHEMBL3824549 0.83 FKBP1A (0.41) BDKRB1
SCHEMBL5132297 0.83 BDKRB1 (0.41) BDKRB1ALDH1A1
SCHEMBL14411784 0.82 MEN1 (0.44) BDKRB1DRD2DRD4DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 (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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885DRD2 1971/4885DRD4 3523/4885

“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.