SCHEMBL3763846

SCHEMBL3763846

CC(C)(C)OC(=O)COCC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.43
KDM1A O60341 1/20 0.41
ATM Q13315 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37
PREP P48147 1/20 0.37
OPRD1 P41143 1/20 0.36
CHEK2 O96017 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
SCHEMBL3771067 0.96 HSD17B10 (0.43) PDE8BATMHSD17B10ALOX5APFEN1
SCHEMBL29039261 0.96 HSD17B10 (0.43) PDE8BATMHSD17B10ALOX5APFEN1
SCHEMBL2490765 0.96 HSD17B10 (0.43) PDE8BATMHSD17B10ALOX5APFEN1
SCHEMBL3781276 0.90 HSD17B10 (0.36) ATMHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL3781269 0.90 HSD17B10 (0.36) ATMHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL31218645 0.90 PDE8B (0.40) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL31218647 0.90 PDE8B (0.40) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL2567398 0.89 HSD17B10 (0.34) PDE8BKDM1AHSD17B10HPGDSMN1; SMN2
SCHEMBL2560957 0.89 PDE8B (0.43) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL31218628 0.89 PDE8B (0.43) PDE8BKDM1AATMHSD17B10HPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US 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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US 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-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US 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 PDE8B 314/4885KDM1A 3220/4885ATM 3057/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PDE8B 314/4885KDM1A 3220/4885ATM 3057/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 PDE8B 314/4885KDM1A 3220/4885ATM 3057/4885

“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.