SCHEMBL4095430

SCHEMBL4095430

COc1c(C)cc(S(=O)(=O)N(C)CCOCC(=O)N2CCn3cccc3C2c2ccc(C)c(C)c2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.38
ALDH1A1 P00352 1/20 0.37
ADRA2C P18825 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
SCHEMBL4091242 0.93 BDKRB1 (0.41) BDKRB1
SCHEMBL4091292 0.93 BDKRB1 (0.39) BDKRB1ALDH1A1ADRA2C
SCHEMBL4090579 0.92 MAPT (0.41) BDKRB1ALDH1A1ADRA2C
SCHEMBL4090658 0.91 BDKRB1 (0.40) BDKRB1ALDH1A1ADRA2C
SCHEMBL4087341 0.91 ADRA2C (0.38) BDKRB1ALDH1A1ADRA2C
SCHEMBL4091526 0.89 ADRA2C (0.37) BDKRB1ALDH1A1ADRA2C
SCHEMBL4084337 0.89 ADRA2C (0.36) BDKRB1ALDH1A1ADRA2C
SCHEMBL4086000 0.89 MAPT (0.44) BDKRB1ALDH1A1
SCHEMBL4085827 0.88 BDKRB1 (0.41) BDKRB1
SCHEMBL4084799 0.87 BDKRB1 (0.37) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US claimed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US claimed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885ALDH1A1 3693/4885ADRA2C 443/4885

“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.