SCHEMBL2571963

SCHEMBL2571963

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(c3ncccc3C#N)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
HSD11B1 P28845 1/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BDKRB1 P46663 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PANK3 Q9H999 1/20 0.38
MTOR P42345 1/20 0.37

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
SCHEMBL2566457 0.98 KDM4E (0.53) KDM4EALDH1A1MAPTTDP1HSD11B1
SCHEMBL2566021 0.96 KDM4E (0.51) KDM4EALDH1A1MAPTTDP1HSD11B1
SCHEMBL2569113 0.86 ALDH1A1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2563967 0.85 KDM4E (0.44) KDM4EBDKRB1LMNA
SCHEMBL2560583 0.84 BDKRB1 (0.45) BDKRB1
SCHEMBL2564652 0.83 ALDH1A1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2568340 0.83 CYP2D6 (0.43) BDKRB1
SCHEMBL2570091 0.82 TDP1 (0.48) ALDH1A1MAPTTDP1BDKRB1LMNA
SCHEMBL2565964 0.82 MAPK1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2566199 0.81 BDKRB1 (0.46) ALDH1A1BDKRB1LMNA

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 KDM4E 3171/4885ALDH1A1 1535/4885MAPT 2195/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KDM4E 3171/4885ALDH1A1 1535/4885MAPT 2195/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KDM4E 3171/4885ALDH1A1 1535/4885MAPT 2195/4885

“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.