SCHEMBL6983984

SCHEMBL6983984

CCCCO[C@H]1[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2D6 P10635 2/20 0.53
CA2 P00918 6/20 0.52
TSHR P16473 1/20 0.46
NR3C1 P04150 1/20 0.46
FYN P06241 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2B P18089 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL6976048 1.00 THRB (0.53) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL16126907 0.99 CYP2D6 (0.55) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL16126980 0.96 CYP2D6 (0.55) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL16126847 0.96 CYP2D6 (0.55) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL6975172 0.95 CYP2D6 (0.51) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL6979988 0.95 CYP2D6 (0.51) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL16770697 0.95 HSD17B10 (0.47) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL13286207 0.95 HSD17B10 (0.47) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL13286213 0.95 HSD17B10 (0.47) THRBHSD17B10CYP2D6CA2TSHR
SCHEMBL13286212 0.95 HSD17B10 (0.47) THRBHSD17B10CYP2D6CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883758-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2561872-B1 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS INC (US) 2014-09-10 EP disclosed
EP-1824482-B1 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS INC (US) 2014-02-12 EP disclosed
US-20130259831-A1 3,5-Disubstituted and 3,5,7-Trisubstituted-3H-Oxazolo and 3H-Thiazolo[4,5-d]pyrimidin-2-one Compounds and Prodrugs Thereof ANADYS PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
EP-2561872-A1 3, 5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo [4,5-d]pyrimidin-2-one compounds and prodrugs thereof Anadys Pharmaceuticals, Inc. (US) 2013-02-27 EP disclosed
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-8097718-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-7560544-B2 Immunomodulators; hepatitis C virus; 5-amino-3-(O-D-ribofuranosylthiazolo[4,5-d]pyrimidine-2,7(3H,6H) dione (7-thia-8-oxoguanosine) ANADYS PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-7560544-B2 Immunomodulators; hepatitis C virus; 5-amino-3-(O-D-ribofuranosylthiazolo[4,5-d]pyrimidine-2,7(3H,6H) dione (7-thia-8-oxoguanosine) ANADYS PHARMACEUTICALS, INC. (US) 2009-07-14 US 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 (2 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-20130259831-A1 3,5-Disubstituted and 3,5,7-Trisubstituted-3H-Oxazolo and 3H-Thiazolo[4,5-d]pyrimidin-2-one Compounds and Prodrugs Thereof TLR5, THPO, IDO1 THRB 2966/4885HSD17B10 2583/4885CYP2D6 123/4885
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 THRB 2966/4885HSD17B10 2583/4885CYP2D6 123/4885

“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.