SCHEMBL4081206

SCHEMBL4081206

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCn3cccc3C2c2ccccc2)CC(C)C)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
BDKRB1 P46663 7/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ADRA2C P18825 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AVPR1B P47901 2/20 0.34
AVPR1A P37288 3/20 0.33
BMP1 P13497 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL4093356 0.94 BDKRB1 (0.38) ALDH1A1BDKRB1MAPT
SCHEMBL4080320 0.93 BDKRB1 (0.37) ALDH1A1BDKRB1MAPTADRA2C
SCHEMBL4091775 0.93 ADRA2C (0.36) ALDH1A1BDKRB1MAPTADRA2CL3MBTL1
SCHEMBL4094722 0.93 MAPT (0.43) ALDH1A1BDKRB1MAPTKDM4EADRA2C
SCHEMBL4087262 0.90 BDKRB1 (0.34) ALDH1A1BDKRB1MAPTADRA2CAVPR1B
SCHEMBL4091715 0.89 BDKRB1 (0.37) BDKRB1AVPR1BBMP1MMP8
SCHEMBL4091210 0.89 BDKRB1 (0.43) ALDH1A1BDKRB1
SCHEMBL4085352 0.89 MEN1 (0.34) ALDH1A1BDKRB1KDM4EAVPR1BAVPR1A
SCHEMBL4080766 0.89 BDKRB1 (0.38) BDKRB1AVPR1B
SCHEMBL4091422 0.88 BDKRB1 (0.36) ALDH1A1BDKRB1AVPR1ABMP1MMP8

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 ALDH1A1 3693/4885BDKRB1 1/4885MAPT 3648/4885

“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.