SCHEMBL2564178

SCHEMBL2564178

Cc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(N3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.51
EBP Q15125 2/20 0.45
DHCR7 Q9UBM7 2/20 0.45
NPSR1 Q6W5P4 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2568300 0.96 BDKRB1 (0.51) BDKRB1EBPDHCR7NPSR1CYP2D6
SCHEMBL2568314 0.94 EBP (0.51) BDKRB1EBPDHCR7NPSR1CYP2D6
SCHEMBL2572140 0.94 EBP (0.53) BDKRB1EBPDHCR7NPSR1CYP2D6
SCHEMBL2568702 0.92 BDKRB1 (0.62) BDKRB1NPSR1CYP2D6CYP2C19ACHE
Hydrochloric Acid SCHEMBL2570343 0.91 BDKRB1 (0.61) BDKRB1NPSR1CYP2D6CYP2C19ACHE
SCHEMBL2567155 0.90 BDKRB1 (0.63) BDKRB1ACHE
SCHEMBL15204128 0.90 BDKRB1 (0.50) BDKRB1EBPDHCR7NPSR1CYP2D6
SCHEMBL2568744 0.90 BDKRB1 (0.50) BDKRB1EBPDHCR7NPSR1CYP2D6
SCHEMBL14411516 0.89 BDKRB1 (0.45) BDKRB1EBPDHCR7NPSR1CYP2D6
SCHEMBL15204218 0.89 BDKRB1 (0.62) BDKRB1KMT2A

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-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
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 2368/4885EBP 2591/4885DHCR7 3304/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885EBP 2591/4885DHCR7 3304/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885EBP 2591/4885DHCR7 3304/4885

“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.