SCHEMBL5125343

SCHEMBL5125343

COc1cc(C)c(S(=O)(=O)N2CCC(OCCC(=O)O)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.39
EPHX2 P34913 3/20 0.39
PTGDR Q13258 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37

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
SCHEMBL5132291 0.94 NPSR1 (0.43) BDKRB1TSHRNPSR1ALDH1A1
SCHEMBL4111436 0.89 BDKRB1 (0.41) BDKRB1EPHX2TSHRNPSR1MEN1
SCHEMBL4124553 0.83 BDKRB1 (0.40) BDKRB1EPHX2TSHRNPSR1MEN1
SCHEMBL4123581 0.83 NPSR1 (0.44) BDKRB1TSHRNPSR1MEN1KMT2A
SCHEMBL3826444 0.82 HSD11B1 (0.42) BDKRB1EPHX2ALDH1A1
SCHEMBL3824604 0.81 CYP46A1 (0.41) BDKRB1EPHX2MEN1KMT2A
SCHEMBL5128611 0.79 DRD2 (0.37) BDKRB1TSHRMEN1KMT2AALDH1A1
SCHEMBL3842206 0.79 MEN1 (0.46) TSHRMEN1MAPK1KMT2AALDH1A1
SCHEMBL4119445 0.78 EPHX2 (0.49) EPHX2MEN1MAPK1KMT2A
SCHEMBL5122612 0.78 BDKRB1 (0.45) BDKRB1EPHX2PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
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
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 1/4885EPHX2 1287/4885PTGDR 29/4885

“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.