SCHEMBL2569189

SCHEMBL2569189

COc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)N2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
PKM P14618 1/20 0.47
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL2566158 0.90 NPC1 (0.49) FKBP1ANPC1RAB9AALDH1A1SIGMAR1
SCHEMBL2569043 0.85 NPC1 (0.50) FKBP1ANPC1RAB9AALDH1A1SIGMAR1
SCHEMBL5122022 0.85 RAB9A (0.50) FKBP1ANPC1RAB9AALDH1A1PKM
SCHEMBL2566934 0.83 ALDH1A1 (0.54) FKBP1ANPC1RAB9AALDH1A1PKM
SCHEMBL493175 0.81 RAB9A (0.58) FKBP1ANPC1RAB9AALDH1A1MMP1
SCHEMBL22633436 0.81 NPC1 (0.62) FKBP1ANPC1RAB9AMMP1MMP3
SCHEMBL2567510 0.80 BDKRB1 (0.46) FKBP1ACHRM3SIGMAR1POLB
SCHEMBL3777024 0.79 BDKRB1 (0.46) CHRM3SIGMAR1POLB
SCHEMBL5128989 0.78 RAB9A (0.46) FKBP1ANPC1RAB9AALDH1A1PKM
SCHEMBL2566355 0.77 NPC1 (0.49) NPC1RAB9AALDH1A1SIGMAR1MMP1

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
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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO 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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP 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 (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 FKBP1A 244/4885NPC1 2707/4885RAB9A 2794/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 FKBP1A 244/4885NPC1 2707/4885RAB9A 2794/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 FKBP1A 244/4885NPC1 2707/4885RAB9A 2794/4885

“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.