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SCHEMBL6972518

SCHEMBL6972518

C=C(C)O[C@@H]1[C@H](OC(C)=O)[C@@H](CCOC(C)=O)O[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CA12 O43570 8/20 0.38
▸ CA1 P00915 8/20 0.38
▸ CA2 P00918 8/20 0.38
▸ CA9 Q16790 7/20 0.38
▸ TSHR P16473 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ PKM P14618 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA5A P35218 2/20 0.33

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
SCHEMBL6974254 0.87 THRB (0.51) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL6974734 0.87 THRB (0.51) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL10147732 0.83 CYP2D6 (0.36) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL13593687 0.78 THRB (0.57) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL22592286 0.78 THRB (0.57) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL14882448 0.78 THRB (0.57) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL20711502 0.78 THRB (0.57) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL22516447 0.78 THRB (0.57) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL4606889 0.78 THRB (0.57) CYP2D6THRBHSD17B10CA12CA1
SCHEMBL6972799 0.78 THRB (0.57) CYP2D6THRBHSD17B10CA12CA1

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 3 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
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
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

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

“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.