SCHEMBL2564686

SCHEMBL2564686

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
OPRK1 P41145 4/20 0.43
BDKRB1 P46663 10/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
OPRM1 P35372 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRD1 P41143 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 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
SCHEMBL2564070 0.98 MCHR1 (0.44) MCHR1OPRK1BDKRB1SMN1; SMN2ALDH1A1
SCHEMBL2567043 0.93 BDKRB1 (0.45) BDKRB1SMN1; SMN2ALDH1A1OPRM1CYP3A4
SCHEMBL2567402 0.93 BDKRB1 (0.46) BDKRB1SMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL2569907 0.92 BDKRB1 (0.45) BDKRB1SMN1; SMN2KDM4E
SCHEMBL2567356 0.91 BDKRB1 (0.44) BDKRB1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2572006 0.91 BDKRB1 (0.45) BDKRB1SMN1; SMN2ALDH1A1KDM4EOPRM1
SCHEMBL2568824 0.90 BDKRB1 (0.46) BDKRB1SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL2569329 0.88 ALDH1A1 (0.44) BDKRB1SMN1; SMN2ALDH1A1KDM4EMMP1
SCHEMBL2563591 0.88 BDKRB1 (0.45) BDKRB1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2568968 0.88 BDKRB1 (0.46) BDKRB1SMN1; SMN2ALDH1A1KDM4ECYP3A4

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 12 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-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
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
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 MCHR1 4545/4885OPRK1 60/4885BDKRB1 2368/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MCHR1 4545/4885OPRK1 60/4885BDKRB1 2368/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MCHR1 4545/4885OPRK1 60/4885BDKRB1 2368/4885

“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.