SCHEMBL7712017

SCHEMBL7712017

CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.43
SRC P12931 8/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
NR1H3 Q13133 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 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
SCHEMBL1439431 1.00 NR1H2 (0.43) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL1439345 1.00 NR1H2 (0.43) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL7809158 1.00 NR1H2 (0.43) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL7807938 1.00 NR1H2 (0.43) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL16772779 0.89 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL1902097 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL2522899 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL21466110 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL26791233 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL5397081 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167497-B2 Stable NAD/NADH derivatives ROCHE DIABETES CARE, INC. (US) 2019-01-01 US disclosed
US-20160326567-A1 STABLE NAD/NADH DERIVATIVES ROCHE DIAGNOSTICS GMBH (DE) 2016-11-10 US disclosed
US-20160326567-A1 STABLE NAD/NADH DERIVATIVES ROCHE DIAGNOSTICS GMBH (DE) 2016-11-10 US disclosed
US-9399790-B2 Stable NAD/NADH derivatives ROCHE DIABETES CARE, INC. (US) 2016-07-26 US disclosed
US-9399790-B2 Stable NAD/NADH derivatives ROCHE DIABETES CARE, INC. (US) 2016-07-26 US disclosed
US-8809013-B2 Stable NAD/NADH derivatives ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-08-19 US disclosed
US-8809013-B2 Stable NAD/NADH derivatives ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-08-19 US disclosed
US-20140206024-A1 STABLE NAD/NADH DERIVATIVES ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-07-24 US disclosed
US-20140206024-A1 STABLE NAD/NADH DERIVATIVES ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-07-24 US disclosed
US-20080213809-A1 Coenzyme substrates; kits; nicotinamide adenine dinucleotide; biochemical detection ROCHE DIABETES CARE, INC. 2008-09-04 US disclosed
US-20080213809-A1 Coenzyme substrates; kits; nicotinamide adenine dinucleotide; biochemical detection ROCHE DIABETES CARE, INC. 2008-09-04 US disclosed
US-6372914-B1 Intermediates useful for the manufacture of carbapenem and a stereoselective manufacturing method therefor EISAI CO., LTD. (JP) 2002-04-16 US disclosed
EP-0528678-B1 A pyrrolidylthiocarbapenem derivative with antibacterial activity SHIONOGI & CO (JP) 2001-05-23 EP disclosed
US-6218550-B1 MANUFACTURING (2S,4S)-2-(((R)-HYDROXY-(3R)-CYCLIC AMINE-3-YL)METHYL)PYRROLIDINE-4-THIOL OR A SALT THEREOF EISAI CO., LTD. (JP) 2001-04-17 US disclosed
EP-1020440-A1 INTERMEDIATES USEFUL IN PRODUCING CARBAPENEM AND PROCESS FOR THE STEREOSELECTIVE PRODUCTION OF THE SAME Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-5703243-A Intermediates for pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
US-5317016-A Pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-31 US disclosed
EP-0528678-A1 A pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 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 (1 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-20080213809-A1 Coenzyme substrates; kits; nicotinamide adenine dinucleotide; biochemical detection NQO1, NADK, NAMPT NR1H2 2499/4885SRC 4581/4885CHRM2 4749/4885

“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.