SCHEMBL2570288

SCHEMBL2570288

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NCc2ccc(CN3CCCC3)cc2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
POLB P06746 3/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 2/20 0.40
MCHR1 Q99705 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.39
ACHE P22303 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
SCHEMBL2568320 0.99 HRH3 (0.43) HRH3POLBCASP3CASP7KMT2A
SCHEMBL2563594 0.98 HRH3 (0.41) HRH3POLBKMT2AMCHR1LMNA
SCHEMBL2560434 0.94 BDKRB1 (0.40) HRH3POLBCASP3CASP7MCHR1
SCHEMBL2568274 0.94 TSHR (0.47) POLB
SCHEMBL2568325 0.94 BDKRB1 (0.40) HRH3POLBKMT2AMCHR1
SCHEMBL2568404 0.93 TSHR (0.46) POLB
SCHEMBL2565776 0.89 CA1 (0.41) HRH3POLBNPC1RAB9A
SCHEMBL2572068 0.89 MAPT (0.40) POLBNPC1RAB9A
SCHEMBL2565022 0.89 POLB (0.40) HRH3POLBKMT2ALMNANPC1
SCHEMBL2568650 0.88 POLB (0.39) POLBKMT2A

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 10 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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO 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 HRH3 1271/4885POLB 2852/4885CASP3 2157/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HRH3 1271/4885POLB 2852/4885CASP3 2157/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HRH3 1271/4885POLB 2852/4885CASP3 2157/4885

“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.