SCHEMBL1686174

SCHEMBL1686174

CC(=O)OC1O[C@H](CO)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA2 P00918 8/20 0.47
▸ OGA O60502 1/20 0.45
▸ CA1 P00915 7/20 0.45
▸ CA12 O43570 6/20 0.45
▸ CA4 P22748 4/20 0.45
▸ CA5A P35218 4/20 0.45
▸ CA5B Q9Y2D0 4/20 0.45
▸ CA7 P43166 3/20 0.45
▸ P4HB P07237 1/20 0.41
▸ PDIA4 P13667 1/20 0.41
▸ PDIA3 P30101 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADRA2B P18089 1/20 0.40

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
SCHEMBL4619733 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL313683 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL13928976 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL9616862 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL6230386 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL3972810 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL4619592 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL8089407 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL314060 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL314061 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150209477-A1 COMPOSITIONS FOR BIOMEDICAL APPLICATIONS UNIV MASSACHUSETTS MEDICAL (US) 2015-07-30 — — US disclosed
US-9023813-B2 Synthesis and use of glycoside derivatives of propofol NuTek Pharma Ltd. (US) 2015-05-05 — — US disclosed
US-20150119346-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF Chromatin Technologies 2015-04-30 — — US disclosed
US-8921533-B2 Glycosylated valproic acid analogs and uses thereof Chromatin Technologies (US) 2014-12-30 — — US disclosed
US-20130029924-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF Chromatin Technologies (US) 2013-01-31 — — US disclosed
US-20120295866-A1 Synthesis And Use Of Glycoside Pro-Drug Analogs NuTek Pharma Ltd. 2012-11-22 — — US disclosed
US-20120264702-A1 Synthesis And Use Of Glycoside Derivatives of Propofol NuTek Pharma Ltd. 2012-10-18 — — US disclosed
WO-2012142141-A1 SYNTHESIS AND USE OF GLYCOSIDE PRO-DRUG ANALOGS NuTek Pharma Ltd. (US) 2012-10-18 — — WO disclosed
WO-2012142147-A2 SYNTHESIS AND USE OF GLYCOSIDE DERIVATIVES OF PROPOFOL NuTek Pharma Ltd. (US) 2012-10-18 — — WO disclosed
EP-2434891-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC Therapeutics, Inc. (US) 2012-04-04 — — EP disclosed
WO-2007050892-A2 CAMPTOTHECIN DERIVATIVES AND IMPROVED SYNTHETIC METHODS GLYCONIX CORPORATION (US) 2007-05-03 — — WO disclosed
US-20070037756-A1 Compositions and methods for the prevention and treatment of circulatory conditions LEADTREK, INC (US) 2007-02-15 — — US disclosed
US-20030004321-A1 Glycosylated analogs of fusidic acid TUINMAN ROELAND (US) 2003-01-02 — — US disclosed
US-6462182-B1 CHEMOTHERAPY, MICROBIAL INFECTIONS; ENHANCED SOLUBILITY; CATALYSIS, HYDROLYSIS THE UNIVERSITY OF MICHIGAN 2002-10-08 — — US disclosed
US-6103884-A REACTING UNMODIFIED FUSIDIC ACID, A DERIVATIZING AGENT, AND A CATALYST TO PRODUCE A GLYCOSYLATED ANALOG, THEN HYDROLYZING WITHOUT AFFECTING THE ACETATE GROUP AT THE C-16 POSITION; FOR DIFFERENT SOLUBILITY PROPERTIES THE UNIVERSITY OF MICHIGAN (US) 2000-08-15 — — US disclosed
US-5932709-A REACTING DISACCHARIDE WITH PROTECTING REAGENT, REACTING PRODUCT WITH HALOGENATING AGENT, REACTING WITH REDUCING AGENT TO FORM DISACCHARIDE GLYCAL UNIVERSITY OF MICHIGAN (US) 1999-08-03 — — US disclosed
US-5677286-A ANTICANCER AGENTS THE UNIVERSITY OF MICHIGAN (US) 1997-10-14 — — US disclosed
WO-1996034003-A1 GLYCOSYLATED ANALOGS OF CAMPTOTHECIN UNIVERSITY OF MICHIGAN (US) 1996-10-31 — — WO disclosed
US-5409902-A Oral hygiene compositions containing glyceroglycolipids as antiplaque compounds LEVER BROTHERS COMPANY (US) 1995-04-25 — — US disclosed
EP-0551674-A1 Oral hygiene compositions containing glyceroglycolipids as antiplaque compounds UNILEVER N.V. (NL) 1993-07-21 — — 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 (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-20120295866-A1 Synthesis And Use Of Glycoside Pro-Drug Analogs GCG, CYP3A5, UGT1A6 CYP2D6 11/4885THRB 2875/4885HSD17B10 1558/4885
US-20130029924-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF HDAC3, VGF, HDAC1 CYP2D6 144/4885THRB 3349/4885HSD17B10 363/4885
US-20150119346-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF HDAC3, VGF, HDAC1 CYP2D6 144/4885THRB 3349/4885HSD17B10 363/4885
US-20120264702-A1 Synthesis And Use Of Glycoside Derivatives of Propofol CYP3A5, CYP3A4, UGT1A4 CYP2D6 10/4885THRB 2227/4885HSD17B10 1340/4885
US-20070037756-A1 Compositions and methods for the prevention and treatment of circulatory conditions SELP, PTGER3, PLTP CYP2D6 2018/4885THRB 3689/4885HSD17B10 567/4885

“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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