SCHEMBL3775698

SCHEMBL3775698

CN(C(=O)COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.43
CCR5 P51681 6/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CHRM4 P08173 1/20 0.38
SCN4A P35499 2/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL2567955 1.00 CCR4 (0.43) CCR4CCR5KCNH2MEN1KMT2A
SCHEMBL2565979 0.91 KCNH2 (0.46) CCR4CCR5KCNH2MEN1KMT2A
SCHEMBL3775809 0.91 KCNH2 (0.46) CCR4CCR5KCNH2MEN1KMT2A
SCHEMBL2563552 0.87 MEN1 (0.43) CCR4CCR5MEN1KMT2ADRD2
SCHEMBL3771103 0.87 MEN1 (0.43) CCR4CCR5MEN1KMT2ADRD2
SCHEMBL3774851 0.85 CCR4 (0.45) CCR4CCR5KCNH2CHRM4
SCHEMBL2568654 0.85 CCR4 (0.45) CCR4CCR5KCNH2CHRM4
SCHEMBL2566009 0.84 MEN1 (0.45) CCR4CCR5MEN1KMT2ADRD2
SCHEMBL3771269 0.84 MEN1 (0.45) CCR4CCR5MEN1KMT2ADRD2
SCHEMBL2564519 0.82 ALDH1A1 (0.50) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CCR4 3875/4885CCR5 3939/4885KCNH2 790/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CCR4 3875/4885CCR5 3939/4885KCNH2 790/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CCR4 3875/4885CCR5 3939/4885KCNH2 790/4885

“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.