SCHEMBL2569914

SCHEMBL2569914

CN(C(=O)COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(CN1CCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.49
OPRD1 P41143 8/20 0.49
OPRM1 P35372 7/20 0.49
UTS2R Q9UKP6 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2569490 0.86 OPRK1 (0.48) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL2568670 0.84 OPRK1 (0.48) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL2572512 0.81 OPRK1 (0.49) OPRK1OPRD1OPRM1UTS2RCYP2D6
SCHEMBL2564590 0.79 OPRK1 (0.48) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL2567469 0.79 OPRK1 (0.48) OPRK1OPRD1OPRM1UTS2RCYP2D6
SCHEMBL2569652 0.78 OPRK1 (0.47) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL4119264 0.78 CNR1 (0.42)
SCHEMBL2567462 0.77 CCR4 (0.42) OPRK1OPRM1
SCHEMBL4111241 0.75 CNR1 (0.43)
SCHEMBL2567551 0.75 CCR4 (0.44) OPRM1

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 OPRK1 60/4885OPRD1 83/4885OPRM1 304/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 OPRK1 60/4885OPRD1 83/4885OPRM1 304/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 OPRK1 60/4885OPRD1 83/4885OPRM1 304/4885

“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.