SCHEMBL532604

SCHEMBL532604

OC=CCc1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
P2RX7 Q99572 1/20 0.35
NAMPT P43490 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL14678180 0.80 HSP90AA1 (0.40) HSP90AA1P2RX7KCNH3
SCHEMBL1444665 0.80 HSP90AA1 (0.40) HSP90AA1P2RX7NAMPTKCNH3FAAH
SCHEMBL10187739 0.77 P2RX7 (0.41) HSP90AA1P2RX7NAMPTKCNH3FAAH
SCHEMBL27791197 0.75
SCHEMBL8051975 0.75
SCHEMBL4661605 0.75
SCHEMBL45811 0.75
SCHEMBL1525817 0.73 HRH1 (0.45)
SCHEMBL9527267 0.73 HRH1 (0.45)
Hydrochloric Acid SCHEMBL8754865 0.72 LMNA (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322518-B1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides GILEAD SCIENCES INC (US) 2015-02-25 EP claimed
US-20140121186-A1 Compounds, Compositions and Methods for Treating Ocular Conditions CHIMERIX, INC. (US) 2014-05-01 US claimed
WO-2011011519-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OCULAR CONDITIONS CHIMERIX, INC. (US) 2011-01-27 WO claimed
US-7230100-B2 Stereoselective method for the preparation of nucleosides SHIRE BIOCHEM., INC. (CA) 2007-06-12 US claimed
EP-1406896-B8 STEREOSELECTIVE METHOD FOR THE PREPARATION OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2006-11-15 EP claimed
US-7109334-B2 Stereoselective methods for the preparation of nucleosides SHIRE BIOCHEM, INC. (CA) 2006-09-19 US claimed
US-20060183899-A1 Stereoselective method for the preparation of nucleosides YU QING 2006-08-17 US claimed
EP-1632490-A1 STEREOSELECTIVE METHOD FOR THE PREPARATION OF NUCLEOSIDE ANALOGUES Shire Biochem Inc. (CA) 2006-03-08 EP claimed
EP-1406896-B1 ATEREOSELECTIVE METHOD FOR THE PREPARATION OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2005-12-21 EP claimed
US-6939965-B2 Process of manufacture of 1,3-oxathiolane nucleosides using titanium trichloride mono-isopropoxide GILEAD SCIENCES, INC. (US) 2005-09-06 US claimed
EP-1406896-A1 ATEREOSELECTIVE METHOD FOR THE PREPARATION OF NUCLEOSIDE ANALOGUES Shire Biochem Inc. (CA) 2004-04-14 EP claimed
US-20030135048-A1 Stereoselective methods for the preparation of nucleosides SHIRE BIOCHEM INC. (CA) 2003-07-17 US claimed
US-6518425-B1 A process for producing a 1,3-oxathiolane nucleoside comprising reacting a 5-halo-2-protected-oxymethyl-1,3-oxathiolane with a silylated purine or pyrimidine without the addition of a Lewis acid or an additional base to the reaction EMORY UNIVERSITY 2003-02-11 US claimed
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers APOTEX PHARMACHEM INC (CA) 2003-01-16 US claimed
WO-2002102796-A1 STEREOSELECTIVE METHOD FOR THE PREPARATION OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2002-12-27 WO claimed
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES CHIMERIX, INC. 2017-11-23 US disclosed
EP-2012799-B1 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES CHIMERIX INC (US) 2016-08-24 EP disclosed
US-6215004-B1 CYCLIZATION OF MERCAPTOACETIC ACID WITH ACETAL IN SOLVENT; SULFIDING EMORY UNIVERSITY 2001-04-10 US disclosed
WO-2000009531-A2 β-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B NOVIRIO PHARMACEUTICALS LIMITED (KY) 2000-02-24 WO disclosed
WO-2000009494-A1 METHOD OF MANUFACTURE OF 1,3-OXATHIOLANE NUCLEOSIDES TRIANGLE PHARMACEUTICALS, INC. (US) 2000-02-24 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 (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-20140121186-A1 Compounds, Compositions and Methods for Treating Ocular Conditions EYA3, EYA2, PDE6C HSP90AA1 4271/4885P2RX7 158/4885NAMPT 1146/4885
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers SLC29A1, NUDT1, SLC28A1 HSP90AA1 3320/4885P2RX7 2728/4885NAMPT 73/4885
US-20030135048-A1 Stereoselective methods for the preparation of nucleosides DPYD, PNP, SLC29A1 HSP90AA1 3622/4885P2RX7 1263/4885NAMPT 203/4885
US-20060183899-A1 Stereoselective method for the preparation of nucleosides DPYD, PNP, ADAR HSP90AA1 4108/4885P2RX7 1131/4885NAMPT 135/4885
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES OAT, PNPO, OTC HSP90AA1 911/4885P2RX7 128/4885NAMPT 1893/4885

“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.