SCHEMBL2569113

SCHEMBL2569113

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(c3ccccn3)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
HSD17B10 Q99714 7/20 0.53
KDM4E B2RXH2 6/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TIPARP Q7Z3E1 1/20 0.47
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 3/20 0.44
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL2564652 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL2563967 0.88 KDM4E (0.44) KDM4ELMNAHPGDPOLB
SCHEMBL2560583 0.87 BDKRB1 (0.45)
SCHEMBL2568340 0.86 CYP2D6 (0.43) CYP2D6TSHR
SCHEMBL3828670 0.86 BDKRB1 (0.40) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL2568794 0.86 SMN1; SMN2 (0.48) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL2571963 0.86 KDM4E (0.53) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL2570091 0.85 TDP1 (0.48) ALDH1A1LMNAMAPTL3MBTL1SMN1; SMN2
SCHEMBL2565964 0.85 MAPK1 (0.46) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL2566583 0.85 MAPK1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB

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 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.