SCHEMBL2568665

SCHEMBL2568665

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N(Cc2ccccc2)c2cccc(C)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
FKBP1A P62942 2/20 0.36
FFAR1 O14842 6/20 0.36
NPC1 O15118 1/20 0.36
DAGLB Q8NCG7 1/20 0.35
CHRM5 P08912 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2569736 0.98 RAB9A (0.39) RAB9AFFAR1CHRM5GAASMN1; SMN2
SCHEMBL2566939 0.88 GAA (0.39) RAB9AFKBP1ANPC1DAGLBGAA
SCHEMBL2567109 0.85 GAA (0.40) RAB9ANPC1GAASMN1; SMN2
SCHEMBL2568201 0.83 LOX (0.36) FFAR1GAASMN1; SMN2
SCHEMBL2567952 0.82 BDKRB1 (0.41) RAB9AFKBP1ANPC1CHRM5
SCHEMBL2567023 0.80 CCR4 (0.43)
SCHEMBL2568349 0.78 SLC2A1 (0.38) FKBP1ACHRM5
SCHEMBL700919 0.78 BDKRB1 (0.41) RAB9AFKBP1ANPC1
SCHEMBL700918 0.78 BDKRB1 (0.41) RAB9AFKBP1ANPC1
SCHEMBL3771103 0.77 MEN1 (0.43)

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 8 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
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
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 RAB9A 2794/4885FKBP1A 244/4885FFAR1 1661/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 RAB9A 2794/4885FKBP1A 244/4885FFAR1 1661/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 RAB9A 2794/4885FKBP1A 244/4885FFAR1 1661/4885

“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.