SCHEMBL5216014

SCHEMBL5216014

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
SCHEMBL132806 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7955835-B2 Stereoselective process for the production of dioxolane nucleoside analogues SHIRE CANADA INC. (CA) 2011-06-07 US disclosed
US-7262213-B2 Compounds and methods for the treatment of cancer UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-08-28 US disclosed
EP-1265890-B1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2007-04-18 EP disclosed
US-20050261320-A1 Compounds and methods for the treatment of cancer CHU CHUNG K 2005-11-24 US disclosed
EP-0956021-B1 L-BETA-DIOXOLANE URIDINE ANALOGS FOR TREATING AND PREVENTING INFECTIONS BY EBV, VZV AND HV-8 UNIV YALE (US) 2004-11-03 EP disclosed
US-6743910-B2 VIRICIDES, ANTICANCER AGENTS BIOCHEM PHARMA, INC. (CA) 2004-06-01 US disclosed
US-20030187262-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA INC. (CA) 2003-10-02 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-20020006635-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA, INC. (CA) 2002-01-17 US disclosed
US-20010018440-A1 L-beta-dioxolane uridine analogs and methods for treating and preventing virus infections YALE UNIVERSITY AND THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2001-08-30 US disclosed
US-6274589-B1 VIRICIDES TO TREAT EPSTEIN-BARR, VARICELLA-ZOSTER, AND/OR HERPES INFECTIONS; KAPOSI'S SARCOMA YALE UNIVERSITY 2001-08-14 US disclosed
US-6022876-A KAPOSI'S SARCOMA; VARICELLA-ZOSTER VIRUS YALE UNIVERSITY (US) 2000-02-08 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
US-5792773-A L-β-dioxolane uridine analog administration for treating Epstein-Barr virus infection YALE UNIVERSITY (US) 1998-08-11 US 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 (3 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-20050261320-A1 Compounds and methods for the treatment of cancer DCTD, DCK, DUT CHRNB2 3314/4885CHRNA5 3618/4885CHRNA7 3763/4885
US-20010018440-A1 L-beta-dioxolane uridine analogs and methods for treating and preventing virus infections UNG, DDX18, UMPS CHRNB2 1868/4885CHRNA5 592/4885CHRNA7 1202/4885

“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.