SCHEMBL6974952

SCHEMBL6974952

CC[C@@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
OGA O60502 1/20 0.34
CHRM2 P08172 5/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9910569 1.00 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL9910565 1.00 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL17972374 1.00 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL15489375 1.00 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL23449124 0.86 TSHR (0.34) TSHROGACHRM2CHRM1CHRM4
SCHEMBL19705300 0.86 TSHR (0.34) TSHROGACHRM2CHRM1CHRM4
SCHEMBL22911675 0.86 TSHR (0.34) TSHROGACHRM2CHRM1CHRM4
SCHEMBL12721725 0.86 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL17976699 0.86 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL12721734 0.86 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4

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 4 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
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

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 TSHR 2594/4885OGA 1470/4885CHRM2 3766/4885
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 TSHR 2594/4885OGA 1470/4885CHRM2 3766/4885

“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.