SCHEMBL4133018

SCHEMBL4133018

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.56
MMP3 P08254 3/20 0.56
MMP7 P09237 2/20 0.56
MMP13 P45452 1/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
PAX8 Q06710 1/20 0.52
MMP9 P14780 1/20 0.51
FKBP1A P62942 2/20 0.50
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48

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
SCHEMBL5087589 0.97 RAB9A (0.55) MMP1MMP3MMP7MMP13RAB9A
SCHEMBL4129930 0.91 MMP1 (0.56) MMP1MMP3MMP7MMP13RAB9A
SCHEMBL2568316 0.91 MEN1 (0.52) MMP1MMP3MMP7MMP13RAB9A
SCHEMBL493175 0.89 RAB9A (0.58) MMP1MMP3MMP7MMP13RAB9A
SCHEMBL2569069 0.86 FKBP1A (0.48) MMP1MMP3MMP7MMP13FKBP1A
SCHEMBL5093730 0.86 PSEN1 (0.62) PAX8FKBP1AALDH1A1PSEN1PSEN2
SCHEMBL5085935 0.86 FKBP1A (0.50) FKBP1AHCRTR1HCRTR2ALDH1A1
SCHEMBL5093751 0.84 LMNA (0.44) RAB9ANPC1HCRTR1HCRTR2KDM4E
SCHEMBL5129006 0.83 BRD4 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL700918 0.83 BDKRB1 (0.41) RAB9ANPC1FKBP1A

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 17 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-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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 (6 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 MMP1 4492/4885MMP3 3494/4885MMP7 3874/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MMP1 4492/4885MMP3 3494/4885MMP7 3874/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MMP1 4492/4885MMP3 3494/4885MMP7 3874/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 MMP1 1949/4885MMP3 2343/4885MMP7 2005/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD MMP1 3028/4885MMP3 3247/4885MMP7 3010/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MMP1 4574/4885MMP3 4072/4885MMP7 2964/4885

“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.