SCHEMBL2569490

SCHEMBL2569490

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N(C)C(CN2CCCC2)c2ccccc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 20/20 0.48
OPRD1 P41143 10/20 0.48
OPRM1 P35372 9/20 0.48
CYP2D6 P10635 3/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2568670 0.98 OPRK1 (0.48) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL2572512 0.95 OPRK1 (0.49) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL2564590 0.93 OPRK1 (0.48) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL2567469 0.93 OPRK1 (0.48) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL2569914 0.86 OPRK1 (0.49) OPRK1OPRD1OPRM1CYP2D6CYP3A4
SCHEMBL2567625 0.84 CCR5 (0.42)
SCHEMBL2563624 0.83 RAB9A (0.41)
SCHEMBL2567782 0.81 CCR5 (0.40)
SCHEMBL2570967 0.80 CCR5 (0.42) OPRK1OPRD1OPRM1
SCHEMBL2567205 0.80 SIGMAR1 (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 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.