SCHEMBL3247478

SCHEMBL3247478

CCCC(=O)C(O)/C=C/C(O)C(=O)CCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAPDH P04406 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3247486 1.00 CES2 (0.41) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL11716989 0.82
SCHEMBL4052430 0.81 CES2 (0.31) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL27723087 0.80
SCHEMBL14860085 0.75
SCHEMBL28340228 0.75 CES2 (0.47) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL1822063 0.72
SCHEMBL1820884 0.72
SCHEMBL28164230 0.72
SCHEMBL107483 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439177-B1 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane UNIV EMORY (US) 2010-05-26 EP disclosed
US-20090048190-A1 Antiviral activity and resolution of 2-hydroxymethyl-5(5-fluorocytosin-1-yl)-1,3-oxathiolane LIOTTA DENNIS C 2009-02-19 US disclosed
US-7402588-B2 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane EMORY UNIVERSITY (US) 2008-07-22 US disclosed
US-20060276492-A1 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane LIOTTA DENNIS C 2006-12-07 US disclosed
US-20050215527-A1 Antiviral activity and resolution of 2-hydroxymethyl-5- (5-fluorocytosin-1-yl)-1, 3-oxathiolane EMORY UNIVERSITY 2005-09-29 US disclosed
US-20050004148-A1 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane EMORY UNIVERSITY 2005-01-06 US disclosed
EP-1439177-A1 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane EMORY UNIVERSITY (US) 2004-07-21 EP disclosed
US-6642245-B1 Treatment of HIV and HBV infections in humans EMORY UNIVERSITY 2003-11-04 US disclosed
EP-0984013-A2 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1, 3-oxathiolane EMORY UNIVERSITY (US) 2000-03-08 EP disclosed
US-5914331-A Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane EMORY UNIVERSITY (US) 1999-06-22 US disclosed
EP-0575482-A1 ANTIVIRAL ACTIVITY AND RESOLUTION OF 2-HYDROXYMETHYL-5-(5-FLUOROCYTOSIN-1-YL)-1,3-OXATHIOLANE EMORY UNIVERSITY (US) 1993-12-29 EP disclosed
WO-1992014743-A2 ANTIVIRAL ACTIVITY AND RESOLUTION OF 2-HYDROXYMETHYL-5-(5-FLUOROCYTOSIN-1-YL)-1,3-OXATHIOLANE EMORY UNIVERSITY (US) 1992-09-03 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 (4 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-20050004148-A1 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane PNP, MTAP, ENTPD5 CES2 61/4885CES1 20/4885HDAC3 2699/4885
US-20060276492-A1 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane PNP, MTAP, ENTPD5 CES2 61/4885CES1 20/4885HDAC3 2699/4885
US-20090048190-A1 Antiviral activity and resolution of 2-hydroxymethyl-5(5-fluorocytosin-1-yl)-1,3-oxathiolane PNP, MTAP, ENTPD5 CES2 62/4885CES1 23/4885HDAC3 2837/4885
US-20050215527-A1 Antiviral activity and resolution of 2-hydroxymethyl-5- (5-fluorocytosin-1-yl)-1, 3-oxathiolane PNP, MTAP, ENTPD5 CES2 61/4885CES1 20/4885HDAC3 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.