SCHEMBL29739

SCHEMBL29739

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ FPR3 P25089 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ PDE8B O95263 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ UCHL1 P09936 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL539034 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL398772 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL190190 0.95 PDE8B (0.47) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL31114914 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL19950330 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL19951601 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL14934749 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL841886 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL33526612 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL47049 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1

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
WO-2020030925-A1 HETEROCYCLIC SUBSTITUTED UREAS, FOR USE AGAINST CANCER ARTIOS PHARMA LIMITED (GB) 2020-02-13 — — WO disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 — — US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 — — US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 — — US disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 — — US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 — — US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 — — 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HSD17B10 143/4885SMN1; SMN2 2867/4885ALDH1A1 137/4885
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO HSD17B10 1988/4885SMN1; SMN2 196/4885ALDH1A1 273/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HSD17B10 155/4885SMN1; SMN2 2787/4885ALDH1A1 137/4885

“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.

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