SCHEMBL2564070

SCHEMBL2564070

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
BDKRB1 P46663 12/20 0.43
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 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
SCHEMBL2564686 0.98 MCHR1 (0.44) MCHR1BDKRB1OPRK1SMN1; SMN2KDM4E
SCHEMBL2572006 0.93 BDKRB1 (0.45) BDKRB1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2568824 0.92 BDKRB1 (0.46) BDKRB1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2563591 0.91 BDKRB1 (0.45) BDKRB1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2567043 0.91 BDKRB1 (0.45) BDKRB1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2568968 0.90 BDKRB1 (0.46) BDKRB1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2567402 0.90 BDKRB1 (0.46) BDKRB1SMN1; SMN2ALDH1A1CASP3CASP7
SCHEMBL2569907 0.90 BDKRB1 (0.45) BDKRB1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL2567356 0.88 BDKRB1 (0.44) BDKRB1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2566525 0.87 GRIN1 (0.46) BDKRB1SMN1; SMN2ALDH1A1

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-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
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
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
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 MCHR1 4545/4885BDKRB1 2368/4885OPRK1 60/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MCHR1 4545/4885BDKRB1 2368/4885OPRK1 60/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MCHR1 4545/4885BDKRB1 2368/4885OPRK1 60/4885

“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.