SCHEMBL5087589

SCHEMBL5087589

COc1ccc(S(=O)(=O)N2CCCC2COCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
PAX8 Q06710 1/20 0.55
MMP1 P03956 3/20 0.52
MMP3 P08254 3/20 0.52
MMP7 P09237 2/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
HCRTR1 O43613 4/20 0.52
HCRTR2 O43614 4/20 0.52
NPC1 O15118 2/20 0.51
CYP3A4 P08684 1/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4133018 0.97 MMP1 (0.56) RAB9APAX8MMP1MMP3MMP7
SCHEMBL493175 0.88 RAB9A (0.58) RAB9APAX8MMP1MMP3MMP7
SCHEMBL4129930 0.88 MMP1 (0.56) RAB9APAX8MMP1MMP3MMP7
SCHEMBL2568316 0.87 MEN1 (0.52) RAB9AMMP1MMP3MMP7MMP13
SCHEMBL5093730 0.83 PSEN1 (0.62) PAX8CASP3CASP7ALDH1A1TSHR
SCHEMBL2569069 0.83 FKBP1A (0.48) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL5085935 0.83 FKBP1A (0.50) HCRTR1HCRTR2CASP3CASP7ALDH1A1
SCHEMBL3441446 0.82 RAB9A (0.43) RAB9APAX8HCRTR1HCRTR2NPC1
SCHEMBL2560595 0.82 RAB9A (0.43) RAB9APAX8HCRTR1HCRTR2NPC1
SCHEMBL6325815 0.82 RAB9A (0.59) RAB9APAX8MMP1MMP3MMP7

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
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-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 RAB9A 2794/4885PAX8 2313/4885MMP1 4492/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 RAB9A 2794/4885PAX8 2313/4885MMP1 4492/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 RAB9A 2794/4885PAX8 2313/4885MMP1 4492/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 RAB9A 2479/4885PAX8 3064/4885MMP1 1949/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD RAB9A 2004/4885PAX8 2654/4885MMP1 3028/4885

“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.