SCHEMBL132806

SCHEMBL132806

CC(=O)O[C@@H]1CO[C@@H](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
SCHEMBL5216014 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL6784103 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL5220519 1.00 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL132805 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 30 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
US-7442813-B2 Process for producing dioxolane nucleoside analogues SHIRE BIOCHEM INC. (CA) 2008-10-28 US disclosed
US-20070197784-A1 Process for producing dioxolane nucleoside analogues TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US disclosed
EP-1265890-B1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2007-04-18 EP disclosed
US-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-7122693-B2 Acetaldehyde acetal compounds, their synthesis, and uses thereof SHIRE BIOCHEM INC. (CA) 2006-10-17 US disclosed
US-7119202-B1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties GLAXO WELLCOME INC. (US) 2006-10-10 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
EP-1225899-A2 METHOD FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTION USING NUCLEOSIDE ANALOGUES Virochem Pharma Inc. (CA) 2002-07-31 EP disclosed
US-6358963-B1 FOR THERAPY OF VIRAL INFECTIONS BIOCHEM PHARMA INC. (CA) 2002-03-19 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
US-20010049372-A1 Antiviral nucleoside analogues BIOCHEM PHARMA INC. (CA) 2001-12-06 US disclosed
EP-1140937-A2 ANTIVIRAL NUCLEOSIDE ANALOGUES Shire Biochem Inc. (CA) 2001-10-10 EP disclosed
WO-2001032153-A2 METHOD FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTION USING NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2001-05-10 WO disclosed
WO-2000039143-A2 ANTIVIRAL NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2000-07-06 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-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG CHRNB2 4692/4885CHRNA5 4320/4885CHRNA7 4123/4885
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-20010049372-A1 Antiviral nucleoside analogues TYMP, SAMHD1, SLC29A1 CHRNB2 4825/4885CHRNA5 4393/4885CHRNA7 4225/4885
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-20070197784-A1 Process for producing dioxolane nucleoside analogues NUDT1, DPYD, DUT CHRNB2 3114/4885CHRNA5 1375/4885CHRNA7 2699/4885

“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.