SCHEMBL2852829

SCHEMBL2852829

CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
YAP1 P46937 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
STS P08842 1/20 0.47
CPB1 P15086 1/20 0.47
PDE4B Q07343 1/20 0.46
CTSK P43235 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NTSR1 P30989 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
USP30 Q70CQ3 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2852833 1.00 HSD11B1 (0.48) HSD11B1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL30661643 1.00 HSD11B1 (0.48) HSD11B1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL30400055 1.00 HSD11B1 (0.48) HSD11B1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL3388401 0.92 PDE4B (0.54) HSD11B1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL3388396 0.92 PDE4B (0.54) HSD11B1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL13315211 0.92 PDE4B (0.54) HSD11B1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL1355893 0.92 PDE4B (0.54) HSD11B1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL19918950 0.92 PDE4B (0.54) HSD11B1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL13737268 0.91 PDE4B (0.50) HTTNPC1RAB9ASMN1; SMN2STS
SCHEMBL13737266 0.91 PDE4B (0.50) HTTNPC1RAB9ASMN1; SMN2STS

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
CN-108137574-B Hydroxyalkyl thiadiazole derivatives 第一三共株式会社 2021-12-28 CN disclosed
US-10752647-B2 N-phosphonoxymethyl prodrugs of hydroxyalkyl thiadiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-08-25 US disclosed
EP-3356361-B1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2020-07-08 EP disclosed
US-20200040019-A1 N-PHOSPHONOXYMETHL PRODRUGS OF HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-02-06 US disclosed
US-10399968-B2 Hydroxyalkyl thiadiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-09-03 US disclosed
US-20180327399-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-11-15 US disclosed
WO-2018169092-A1 N-PHOSPHONOXYMETHYL PRODRUGS OF HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-09-20 WO disclosed
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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 (6 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-10399968-B2 Hydroxyalkyl thiadiazole derivatives TOP1, TOP2B, TOP2A HSD11B1 37/4885HTT 3364/4885NPC1 3750/4885
US-10752647-B2 N-phosphonoxymethyl prodrugs of hydroxyalkyl thiadiazole derivatives PHYKPL, SLC34A1, PNKP HSD11B1 59/4885HTT 4479/4885NPC1 1749/4885
US-20200040019-A1 N-PHOSPHONOXYMETHL PRODRUGS OF HYDROXYALKYL THIADIAZOLE DERIVATIVES PHYKPL, SLC34A1, PNKP HSD11B1 41/4885HTT 4384/4885NPC1 1606/4885
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HSD11B1 2069/4885HTT 4384/4885NPC1 1573/4885
US-20180327399-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES TOP1, TOP2B, TOP2A HSD11B1 37/4885HTT 3364/4885NPC1 3750/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HSD11B1 645/4885HTT 4571/4885NPC1 630/4885

“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.