SCHEMBL10181505

SCHEMBL10181505

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.43
▸ CA1 P00915 6/20 0.43
▸ CA2 P00918 6/20 0.43
▸ CA9 Q16790 6/20 0.43
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL2098939 0.97 CA12 (0.43) CA12CA1CA2CA9CYP2D6
SCHEMBL10172185 0.90 CA12 (0.51) CA12CA1CA2CA9CYP2D6
SCHEMBL13431329 0.90 CA12 (0.51) CA12CA1CA2CA9CYP2D6
SCHEMBL25948605 0.90 CA12 (0.51) CA12CA1CA2CA9CYP2D6
SCHEMBL14142697 0.90 CA12 (0.51) CA12CA1CA2CA9CYP2D6
SCHEMBL31259697 0.90 CA12 (0.51) CA12CA1CA2CA9CYP2D6
SCHEMBL12884478 0.90 CA12 (0.51) CA12CA1CA2CA9CYP2D6
SCHEMBL21842371 0.90 CA12 (0.51) CA12CA1CA2CA9CYP2D6
SCHEMBL21969575 0.90 CA12 (0.51) CA12CA1CA2CA9CYP2D6
SCHEMBL24455472 0.89 CA2 (0.47) CA12CA1CA2CA9CYP2D6

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-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 (1 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 CA12 4397/4885CA1 3824/4885CA2 2872/4885

“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.

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