SCHEMBL2564652

SCHEMBL2564652

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N2CCN(c3ccccn3)CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
HSD17B10 Q99714 7/20 0.50
KDM4E B2RXH2 6/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
TIPARP Q7Z3E1 1/20 0.49
HPGD P15428 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPK1 P28482 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43

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
SCHEMBL2569113 0.98 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL2563967 0.90 KDM4E (0.44) KDM4ELMNAHPGDPOLB
SCHEMBL2566583 0.88 MAPK1 (0.46) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2566199 0.87 BDKRB1 (0.46) ALDH1A1LMNA
SCHEMBL2563556 0.86 CYP2D6 (0.44) CYP2D6TSHR
SCHEMBL2566457 0.86 KDM4E (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2564642 0.86 SMN1; SMN2 (0.48) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL2563625 0.85 KMT2A (0.49) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL2564162 0.85 TDP1 (0.47) ALDH1A1LMNAMAPTL3MBTL1SMN1; SMN2
SCHEMBL2563806 0.85 MAPK1 (0.46) ALDH1A1KDM4ELMNAMAPTNPSR1

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-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
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 ALDH1A1 1535/4885HSD17B10 3104/4885KDM4E 3171/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885HSD17B10 3104/4885KDM4E 3171/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885HSD17B10 3104/4885KDM4E 3171/4885

“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.