SCHEMBL2567533

SCHEMBL2567533

Cc1cc(C)c(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)NCc2ccc(CN3CCCC3)cc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.42
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BDKRB1 P46663 2/20 0.36
EBP Q15125 1/20 0.36
DHCR7 Q9UBM7 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
SCHEMBL2568690 0.87 ACHE (0.43) EPHX2CYP3A4CYP2D6FAAHBCHE
SCHEMBL2564439 0.83 LMNA (0.41) CYP3A4CYP2D6MAPK1LMNASMN1; SMN2
SCHEMBL2566667 0.82 EPHX2 (0.40) EPHX2OPRD1OPRK1LMNAPKM
SCHEMBL2567253 0.81 MMP8 (0.40) EPHX2LMNANPSR1PKM
SCHEMBL2568675 0.81 EPHX2 (0.41) EPHX2OPRD1OPRK1LMNAHTT
SCHEMBL5127128 0.79 EPHX2 (0.43) EPHX2OPRD1OPRK1HTTEBP
SCHEMBL2570288 0.78 HRH3 (0.44) LMNAFAAHACHE
SCHEMBL2563594 0.78 HRH3 (0.41) LMNAFAAHACHEALDH1A1
SCHEMBL2568320 0.78 HRH3 (0.43) LMNA
SCHEMBL2568325 0.76 BDKRB1 (0.40) ALDH1A1BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 EPHX2 2401/4885OPRD1 83/4885OPRK1 60/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 EPHX2 2401/4885OPRD1 83/4885OPRK1 60/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 EPHX2 2401/4885OPRD1 83/4885OPRK1 60/4885

“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.