SCHEMBL5131979

SCHEMBL5131979

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCCC(=O)N2CCC(O)(c3ccccc3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.39
FKBP1A P62942 2/20 0.39
BDKRB1 P46663 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
CHRM4 P08173 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL5131924 0.92 MEN1 (0.42) ALDH1A1BDKRB1DRD2DRD3
SCHEMBL5131373 0.92 BDKRB1 (0.37) ALDH1A1BDKRB1DRD2DRD3
SCHEMBL5127947 0.92 BDKRB1 (0.42) HSD11B1ALDH1A1BDKRB1RAB9ANPC1
SCHEMBL5123809 0.90 BDKRB1 (0.43) HSD11B1ALDH1A1BDKRB1RAB9ADRD2
SCHEMBL14411693 0.90 BDKRB1 (0.43) HSD11B1ALDH1A1BDKRB1RAB9ADRD2
SCHEMBL3824549 0.89 FKBP1A (0.41) FKBP1ABDKRB1RAB9ANPC1
SCHEMBL5123805 0.85 OPRM1 (0.43) BDKRB1DRD2DRD3
SCHEMBL5132297 0.84 BDKRB1 (0.41) ALDH1A1BDKRB1
SCHEMBL5132121 0.84 BDKRB1 (0.41) BDKRB1DRD2DRD3
SCHEMBL5128645 0.84 MEN1 (0.43) ALDH1A1BDKRB1DRD2DRD3

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 HSD11B1 2319/4885ALDH1A1 2737/4885FKBP1A 1510/4885

“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.