SCHEMBL2569154

SCHEMBL2569154

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.48
FAAH O00519 5/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 3/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2A P28223 1/20 0.41
CCR3 P51677 1/20 0.41
TSHR P16473 1/20 0.41
MCHR1 Q99705 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2577867 0.98 ACHE (0.47) ACHEFAAHALDH1A1SMN1; SMN2BCHE
SCHEMBL2570797 0.93 ACHE (0.53) ACHEFAAHALDH1A1BCHECYP2D6
SCHEMBL2560502 0.89 ACHE (0.48) ACHEALDH1A1MEN1KMT2ANPC1
SCHEMBL2568129 0.88 ACHE (0.48) ACHEALDH1A1MEN1KMT2ANPC1
SCHEMBL2569920 0.88 ACHE (0.44) ACHENPC1RAB9A
SCHEMBL2565133 0.87 ACHE (0.42) ACHEALDH1A1CYP2D6MEN1KMT2A
SCHEMBL2569105 0.86 SIGMAR1 (0.56) KMT2AL3MBTL1MCHR1SIGMAR1
SCHEMBL2560434 0.85 BDKRB1 (0.40) NPC1RAB9AMCHR1
SCHEMBL2568968 0.85 BDKRB1 (0.46) ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2565134 0.85 FAAH (0.49) ACHEFAAHBCHEMEN1KMT2A

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-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US 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 ACHE 1236/4885FAAH 122/4885ALDH1A1 1535/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ACHE 1236/4885FAAH 122/4885ALDH1A1 1535/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ACHE 1236/4885FAAH 122/4885ALDH1A1 1535/4885

“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.