SCHEMBL132805

SCHEMBL132805

CC(=O)OC1COC(COC(=O)c2ccccc2)O1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 1/20 0.41
PPM1B O75688 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5213078 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL172658 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL132806 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL5216014 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL6784103 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL5220519 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL1931445 0.86 ESR2 (0.43) NPC1ALDH1A1RAB9A
SCHEMBL5426977 0.82 CHRNB2 (0.44) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL5426986 0.82 CHRNB2 (0.44) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL5426982 0.82 CHRNB2 (0.44) CHRNB2CHRNA5CHRNA7CHRNA4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US claimed
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties BELLEAU BERNARD (CA) 2004-12-16 US claimed
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 2003-05-08 US claimed
EP-1467990-B1 PROCESS FOR PRODUCING DIOXOLANE NUCLEOSIDE ANALOGUE PRECURSORS SHIRE BIOCHEM INC (CA) 2012-03-07 EP disclosed
EP-1467990-B1 PROCESS FOR PRODUCING DIOXOLANE NUCLEOSIDE ANALOGUE PRECURSORS SHIRE BIOCHEM INC (CA) 2012-03-07 EP disclosed
US-8076347-B2 (-)-(2S,4S)-1-(2-hydroxymethyl-1,3-dioxolan-4-yl)cytosine (OddC); \"L\"-nucleoside that exhibits anti-tumor activity; anticarcinogenic agent for non-small cell lung cancer, colon, breast, prostate, ovarian, CNS, renal, and lymphoma cancer, leukemia, melanoma UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-12-13 US disclosed
US-8076347-B2 (-)-(2S,4S)-1-(2-hydroxymethyl-1,3-dioxolan-4-yl)cytosine (OddC); \"L\"-nucleoside that exhibits anti-tumor activity; anticarcinogenic agent for non-small cell lung cancer, colon, breast, prostate, ovarian, CNS, renal, and lymphoma cancer, leukemia, melanoma UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-12-13 US disclosed
US-7560550-B2 Method for the production of OH protected[4-(2.6-diamino-9H-purine-9-yl)-1.3-dioxolane-2-yl]methanol derivatives RFS PHARMA, LLC (US) 2009-07-14 US disclosed
US-7442813-B2 Process for producing dioxolane nucleoside analogues SHIRE BIOCHEM INC. (CA) 2008-10-28 US disclosed
US-7442813-B2 Process for producing dioxolane nucleoside analogues SHIRE BIOCHEM INC. (CA) 2008-10-28 US disclosed
US-20080171758-A1 Compounds and methods for the treatment of cancer UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC (US) 2008-07-17 US disclosed
US-20030187262-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA INC. (CA) 2003-10-02 US disclosed
WO-2003062229-A1 PROCESS FOR PRODUCING DIOXOLANE NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2003-07-31 WO disclosed
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 2003-05-08 US disclosed
US-6541625-B2 Stereoselectively hydrolyzing an anomeric mixture of 2-benzoyloxydioxolanecarboxylate with an enzyme; separating product; replacing carboxylate by reaction with a purine or pyrimidinyl derivative BIOCHEM PHARMA, INC. (CA) 2003-04-01 US disclosed
US-20030013660-A1 Dioxolane analogs for improved inter-cellular delivery SHIRE BIOCHEM INC. (CA) 2003-01-16 US disclosed
US-6350753-B1 2-ACETOXYMETHYL-4-(THYMIN-1'-YL)-1,3,-DIOXOLANE; 2-BENZOYLOXYMETHYL-4-(CYTOSIN-1'-YL)-1,3-DIOXOLANE; ANTIVIRAL AGENTS, PARTICULARY FOR THE TREATMENT OF THE HIV INFECTIONS IN MAMMALS, ESPECIALLY HUMANS BIOCHEM PHARMA INC. (CA) 2002-02-26 US disclosed
US-20020006635-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA, INC. (CA) 2002-01-17 US disclosed
EP-0956021-A1 L-$g(b)-DIOXOLANE URIDINE ANALOGS AND METHODS FOR TREATING AND PREVENTING VIRUS INFECTIONS YALE UNIVERSITY (US) 1999-11-17 EP disclosed
WO-1998020879-A1 L-β-DIOXOLANE URIDINE ANALOGS AND METHODS FOR TREATING AND PREVENTING VIRUS INFECTIONS YALE UNIVERSITY (US) 1998-05-22 WO 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-20030187262-A1 Stereoselective synthesis of nucleoside analogues PNP, CTRC, CPN1 CHRNB2 1905/4885CHRNA5 1249/4885CHRNA7 1907/4885
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG CHRNB2 4699/4885CHRNA5 4345/4885CHRNA7 4166/4885
US-20030013660-A1 Dioxolane analogs for improved inter-cellular delivery SLC19A1, SLC29A1, SLC29A2 CHRNB2 2452/4885CHRNA5 3369/4885CHRNA7 3606/4885
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties IFNAR1, ZC3HAV1, NUDT1 CHRNB2 4678/4885CHRNA5 4378/4885CHRNA7 4035/4885
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties IFNAR1, ZC3HAV1, MAVS CHRNB2 4555/4885CHRNA5 4167/4885CHRNA7 3788/4885
US-20080171758-A1 Compounds and methods for the treatment of cancer DCTD, DCK, DUT CHRNB2 3314/4885CHRNA5 3618/4885CHRNA7 3763/4885

“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.