SCHEMBL6979988

SCHEMBL6979988

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.51
HSD17B10 Q99714 3/20 0.51
THRB P10828 2/20 0.51
CA2 P00918 5/20 0.50
BCHE P06276 1/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 2/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
NR3C1 P04150 1/20 0.44
FYN P06241 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRA2B P18089 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL6975172 1.00 CYP2D6 (0.51) CYP2D6HSD17B10THRBCA2BCHE
SCHEMBL6983984 0.95 THRB (0.53) CYP2D6HSD17B10THRBCA2BCHE
SCHEMBL6976048 0.95 THRB (0.53) CYP2D6HSD17B10THRBCA2BCHE
SCHEMBL16126907 0.94 CYP2D6 (0.55) CYP2D6HSD17B10THRBCA2MAPT
SCHEMBL10495764 0.91 CYP2D6 (0.55) CYP2D6HSD17B10THRBCA2BCHE
SCHEMBL16126980 0.91 CYP2D6 (0.55) CYP2D6HSD17B10THRBCA2BCHE
SCHEMBL16126847 0.91 CYP2D6 (0.55) CYP2D6HSD17B10THRBCA2BCHE
SCHEMBL5181975 0.90 CYP2D6 (0.57) CYP2D6HSD17B10THRBCA2BCHE
SCHEMBL31252904 0.90 CYP2D6 (0.57) CYP2D6HSD17B10THRBCA2BCHE
SCHEMBL13286212 0.90 HSD17B10 (0.47) CYP2D6HSD17B10THRBCA2BCHE

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 CYP2D6 123/4885HSD17B10 2583/4885THRB 2966/4885
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 CYP2D6 123/4885HSD17B10 2583/4885THRB 2966/4885

“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.