SCHEMBL2566934

SCHEMBL2566934

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(CCOc3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
PKM P14618 2/20 0.54
DRD3 P35462 7/20 0.51
DRD2 P14416 3/20 0.51
MMP1 P03956 2/20 0.51
MMP9 P14780 2/20 0.51
MMP13 P45452 2/20 0.51
KCNA5 P22460 2/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ADAM17 P78536 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
FKBP1A P62942 1/20 0.46
MEN1 O00255 1/20 0.44

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
SCHEMBL2566355 0.83 NPC1 (0.49) ALDH1A1MMP1MMP13MMP3MMP7
SCHEMBL2569189 0.83 FKBP1A (0.51) ALDH1A1PKMMMP1MMP9MMP3
SCHEMBL2566158 0.82 NPC1 (0.49) ALDH1A1PKMMMP1MMP9MMP13
SCHEMBL2560519 0.81 ALDH1A1 (0.47) ALDH1A1MMP1MMP9MMP13MMP3
SCHEMBL5131956 0.80 FKBP1A (0.47) ALDH1A1PKMMMP1MMP9MMP13
SCHEMBL4133018 0.80 MMP1 (0.56) ALDH1A1MMP1MMP9MMP13MMP3
SCHEMBL2567221 0.78 HTR7 (0.51) DRD3DRD2CASP3CASP7MEN1
SCHEMBL4129930 0.78 MMP1 (0.56) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5128422 0.78 ALDH1A1 (0.46) ALDH1A1PKMMMP1MMP9MMP13
SCHEMBL2567510 0.77 BDKRB1 (0.46) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP 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-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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 (3 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 ALDH1A1 1535/4885PKM 1904/4885DRD3 3704/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885PKM 1904/4885DRD3 3704/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885PKM 1904/4885DRD3 3704/4885

“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.