SCHEMBL4085352

SCHEMBL4085352

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCn3cccc3C2c2cccs2)CC(C)C)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BDKRB1 P46663 12/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
AVPR1B P47901 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MMP1 P03956 1/20 0.31
BMP1 P13497 1/20 0.31
MMP8 P22894 1/20 0.31
AVPR1A P37288 2/20 0.31

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
SCHEMBL4085066 0.90 BDKRB1 (0.42) BDKRB1KDM4E
SCHEMBL4081206 0.89 ALDH1A1 (0.37) BDKRB1KDM4EALDH1A1AVPR1BBMP1
SCHEMBL4093356 0.88 BDKRB1 (0.38) BDKRB1ALDH1A1
SCHEMBL4091715 0.87 BDKRB1 (0.37) BDKRB1AVPR1BMMP1BMP1MMP8
SCHEMBL4080320 0.87 BDKRB1 (0.37) BDKRB1ALDH1A1
SCHEMBL4081145 0.86 BDKRB1 (0.35) MEN1KMT2ABDKRB1KDM4EAVPR1B
SCHEMBL4080766 0.86 BDKRB1 (0.38) BDKRB1AVPR1B
SCHEMBL4094722 0.86 MAPT (0.43) MEN1KMT2ABDKRB1KDM4EALDH1A1
SCHEMBL4091775 0.86 ADRA2C (0.36) MEN1KMT2ABDKRB1ALDH1A1NPSR1
SCHEMBL4091422 0.86 BDKRB1 (0.36) BDKRB1ALDH1A1BMP1MMP8AVPR1A

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 MEN1 1412/4885KMT2A 1528/4885BDKRB1 1/4885

“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.