SCHEMBL4091526

SCHEMBL4091526

COc1c(C)cc(S(=O)(=O)N(C)CCOCC(=O)N2CCn3cccc3C2c2cccc(C(F)(F)F)c2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.37
BDKRB1 P46663 15/20 0.37
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4087341 0.91 ADRA2C (0.38) ADRA2CBDKRB1ALDH1A1
SCHEMBL4091203 0.91 BDKRB1 (0.36) BDKRB1
SCHEMBL4090658 0.90 BDKRB1 (0.40) ADRA2CBDKRB1ALDH1A1
SCHEMBL4091292 0.90 BDKRB1 (0.39) ADRA2CBDKRB1ALDH1A1
SCHEMBL4095430 0.89 BDKRB1 (0.38) ADRA2CBDKRB1ALDH1A1
SCHEMBL4090579 0.88 MAPT (0.41) ADRA2CBDKRB1ALDH1A1
SCHEMBL4091242 0.87 BDKRB1 (0.41) BDKRB1
SCHEMBL4092107 0.87 BDKRB1 (0.51) BDKRB1
SCHEMBL4086000 0.86 MAPT (0.44) BDKRB1ALDH1A1
SCHEMBL4087258 0.86 BDKRB1 (0.42) ADRA2CBDKRB1

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 ADRA2C 443/4885BDKRB1 1/4885ALDH1A1 3693/4885

“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.