SCHEMBL2568345

SCHEMBL2568345

CC(C)(C)OC(=O)N1CCC[C@@H]1COCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PDE8B O95263 1/20 0.39
OPRD1 P41143 1/20 0.39
ATM Q13315 2/20 0.39
NPC1 O15118 1/20 0.39
HCRTR2 O43614 1/20 0.38

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
SCHEMBL6319985 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL3774461 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL31218628 0.96 PDE8B (0.43) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL2560957 0.96 PDE8B (0.43) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL2569371 0.92 HSD17B10 (0.39) HSD17B10SMN1; SMN2ATM
SCHEMBL3768956 0.92 HSD17B10 (0.39) HSD17B10SMN1; SMN2ATM
SCHEMBL29039261 0.89 HSD17B10 (0.43) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL3771067 0.89 HSD17B10 (0.43) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL2490765 0.89 HSD17B10 (0.43) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL20399345 0.86 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6939880-B2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-09-06 US disclosed
US-6555570-B2 Growth hormone secretagogous with improved bioavailability NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030055261-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-03-20 US disclosed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US disclosed
US-6127391-A A PEPTIDE MIMETIC COMPOUND FOR STIMULATING THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 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 (5 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-20030055261-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, IGFBP1 HSD17B10 831/4885SMN1; SMN2 1242/4885ALOX5AP 3185/4885
US-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HSD17B10 3104/4885SMN1; SMN2 45/4885ALOX5AP 1071/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HSD17B10 3104/4885SMN1; SMN2 45/4885ALOX5AP 1071/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HSD17B10 3104/4885SMN1; SMN2 45/4885ALOX5AP 1071/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR HSD17B10 724/4885SMN1; SMN2 1369/4885ALOX5AP 3194/4885

“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.