SCHEMBL3781269

SCHEMBL3781269

CC(C)(C)OC(=O)COCC1CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ATM Q13315 2/20 0.35
PARP1 P09874 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3781276 1.00 HSD17B10 (0.36) HSD17B10CHRM2CHRM1CHRM3ATM
SCHEMBL29039261 0.92 HSD17B10 (0.43) HSD17B10ATMSMN1; SMN2ALDH1A1
SCHEMBL2490765 0.92 HSD17B10 (0.43) HSD17B10ATMSMN1; SMN2ALDH1A1
SCHEMBL3771067 0.92 HSD17B10 (0.43) HSD17B10ATMSMN1; SMN2ALDH1A1
SCHEMBL3763846 0.90 PDE8B (0.43) HSD17B10ATMHPGDSMN1; SMN2ALDH1A1
SCHEMBL2569371 0.88 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3ATM
SCHEMBL3768956 0.88 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3ATM
SCHEMBL2569354 0.88 HSD17B10 (0.32) HSD17B10HPGDSMN1; SMN2
SCHEMBL5160976 0.83 SMN1; SMN2 (0.37) HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL14048047 0.82 PDK1 (0.43) ATMPARP1SMN1; SMN2ALDH1A1

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 4 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-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 HSD17B10 3104/4885CHRM2 4235/4885CHRM1 4618/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HSD17B10 3104/4885CHRM2 4235/4885CHRM1 4618/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HSD17B10 3104/4885CHRM2 4235/4885CHRM1 4618/4885

“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.