SCHEMBL5128035

SCHEMBL5128035

COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)O)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
HTR6 P50406 1/20 0.40
AVPR1B P47901 4/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 1/20 0.38
AVPR1A P37288 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
F2 P00734 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
SCHEMBL3763639 0.88 TAS2R14 (0.42) TP53LMNAMAPTHTTOPRM1
SCHEMBL2572135 0.88 TAS2R14 (0.42) TP53LMNAMAPTHTTOPRM1
SCHEMBL2566086 0.87 BMP1 (0.42) TP53LMNAAVPR1BMAPTMEN1
SCHEMBL5127128 0.86 EPHX2 (0.43) TP53MAPTHTTEPHX2MEN1
SCHEMBL5129983 0.84 AVPR1B (0.38) HTR6AVPR1BAVPR1A
SCHEMBL2562887 0.83 BDKRB1 (0.48) HTR6AVPR1BHTTAVPR1APOLB
SCHEMBL2569905 0.83 BDKRB1 (0.48) HTR6AVPR1BEPHX2AVPR1APOLB
SCHEMBL2565923 0.82 BDKRB1 (0.50) TP53HTR6AVPR1BEPHX2AVPR1A
SCHEMBL2567117 0.81 BDKRB1 (0.49) HTR6AVPR1BAVPR1A
SCHEMBL2567224 0.81 BDKRB1 (0.38) HTR6AVPR1BEPHX2AVPR1A

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 14 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-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO 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 (4 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TP53 2982/4885LMNA 2964/4885HTR6 1229/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TP53 2982/4885LMNA 2964/4885HTR6 1229/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 TP53 2982/4885LMNA 2964/4885HTR6 1229/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 TP53 3956/4885LMNA 1324/4885HTR6 526/4885

“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.