SCHEMBL3775809

SCHEMBL3775809

CN(C(=O)COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
CHRM4 P08173 4/20 0.43
CCR4 P51679 2/20 0.40
GPR119 Q8TDV5 4/20 0.40
MCHR1 Q99705 1/20 0.40
CCR5 P51681 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR1 P25103 3/20 0.37
TACR2 P21452 2/20 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
SCHEMBL2565979 1.00 KCNH2 (0.46) KCNH2CHRM4CCR4GPR119MCHR1
SCHEMBL3775698 0.91 CCR4 (0.43) KCNH2CHRM4CCR4CCR5MEN1
SCHEMBL2567955 0.91 CCR4 (0.43) KCNH2CHRM4CCR4CCR5MEN1
SCHEMBL2568654 0.86 CCR4 (0.45) KCNH2CHRM4CCR4GPR119CCR5
SCHEMBL3774851 0.86 CCR4 (0.45) KCNH2CHRM4CCR4GPR119CCR5
SCHEMBL3771103 0.84 MEN1 (0.43) CCR4MCHR1CCR5MEN1KMT2A
SCHEMBL2563552 0.84 MEN1 (0.43) CCR4MCHR1CCR5MEN1KMT2A
SCHEMBL2566009 0.82 MEN1 (0.45) CCR4MCHR1CCR5MEN1KMT2A
SCHEMBL3771269 0.82 MEN1 (0.45) CCR4MCHR1CCR5MEN1KMT2A
SCHEMBL2567462 0.81 CCR4 (0.42) CHRM4CCR4

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 KCNH2 790/4885CHRM4 4163/4885CCR4 3875/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KCNH2 790/4885CHRM4 4163/4885CCR4 3875/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KCNH2 790/4885CHRM4 4163/4885CCR4 3875/4885

“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.