SCHEMBL2560434

SCHEMBL2560434

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
POLB P06746 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
MCHR1 Q99705 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2568325 0.98 BDKRB1 (0.40) BDKRB1POLBHRH3MCHR1
SCHEMBL2570288 0.94 HRH3 (0.44) POLBHRH3CASP3CASP7MCHR1
SCHEMBL2568320 0.94 HRH3 (0.43) POLBHRH3CASP3CASP7MCHR1
SCHEMBL2563594 0.92 HRH3 (0.41) POLBHRH3MCHR1
SCHEMBL2568274 0.92 TSHR (0.47) POLB
SCHEMBL2565832 0.91 CA1 (0.42) POLBNPC1RAB9A
SCHEMBL2568404 0.89 TSHR (0.46) POLB
SCHEMBL2568277 0.88 CA1 (0.42) POLB
SCHEMBL2572068 0.86 MAPT (0.40) POLBNPC1RAB9A
SCHEMBL2565022 0.86 POLB (0.40) BDKRB1POLBHRH3NPC1RAB9A

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 BDKRB1 2368/4885POLB 2852/4885HRH3 1271/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885POLB 2852/4885HRH3 1271/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885POLB 2852/4885HRH3 1271/4885

“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.