SCHEMBL5127947

SCHEMBL5127947

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(O)(c3ccccc3)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.42
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL14411693 0.97 BDKRB1 (0.43) BDKRB1HSD11B1ALDH1A1RAB9A
SCHEMBL5123809 0.97 BDKRB1 (0.43) BDKRB1HSD11B1ALDH1A1RAB9A
SCHEMBL5128645 0.92 MEN1 (0.43) BDKRB1ALDH1A1
SCHEMBL5132121 0.92 BDKRB1 (0.41) BDKRB1
SCHEMBL5132297 0.92 BDKRB1 (0.41) BDKRB1ALDH1A1
SCHEMBL5131979 0.92 HSD11B1 (0.40) BDKRB1HSD11B1ALDH1A1RAB9ANPC1
SCHEMBL3829718 0.91 ALDH1A1 (0.41) BDKRB1ALDH1A1
SCHEMBL3809047 0.91 ALDH1A1 (0.47) BDKRB1ALDH1A1
SCHEMBL3413429 0.90 BDKRB1 (0.45) BDKRB1
Hydrochloric Acid SCHEMBL5128006 0.90 ALDH1A1 (0.46) BDKRB1ALDH1A1

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 1/4885HSD11B1 2319/4885ALDH1A1 2737/4885

“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.