SCHEMBL2565909

SCHEMBL2565909

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 3/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2565831 0.98 POLB (0.46) POLBALDH1A1GAARAB9ACA1
SCHEMBL2565776 0.94 CA1 (0.41) POLBRAB9ACA1CA2CA7
SCHEMBL2565832 0.92 CA1 (0.42) POLBRAB9ACA1CA2CA7
SCHEMBL2563906 0.92 CA1 (0.41) POLBALDH1A1CA1CA2CA7
SCHEMBL2568274 0.92 TSHR (0.47) POLBALDH1A1GAATSHRKDM4E
SCHEMBL2564993 0.90 MEN1 (0.41) POLBALDH1A1GAAMAPTKDM4E
SCHEMBL2568277 0.90 CA1 (0.42) POLBALDH1A1CA1CA2CA7
SCHEMBL2568404 0.89 TSHR (0.46) POLBALDH1A1GAATSHRKDM4E
SCHEMBL2572091 0.87 MAPT (0.51) POLBALDH1A1GAAMAPTKDM4E
SCHEMBL2570288 0.86 HRH3 (0.44) POLBRAB9A

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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 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 POLB 2852/4885ALDH1A1 1535/4885GAA 234/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 POLB 2852/4885ALDH1A1 1535/4885GAA 234/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 POLB 2852/4885ALDH1A1 1535/4885GAA 234/4885

“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.