Sugi Predict

Sugi Predict / Compounds / SCHEMBL6973373

SCHEMBL6973373

SCHEMBL6973373

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NR3C1 P04150 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL25947772 0.89 CA12 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL12721631 0.89 CA12 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL12721608 0.89 CA12 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL20419271 0.89 CA12 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL10147766 0.81 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL6974214 0.81 NPC1 (0.47) ALDH1A1TDP1
SCHEMBL6973362 0.79 CHRM5 (0.31) TSHR
SCHEMBL19976416 0.79 CA9 (0.48) CA12CA1CA2CA9TSHR
SCHEMBL13344568 0.78 CA12 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL17226048 0.77 PDK1 (0.38) ALDH1A1CA12CA1CA2CA9

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 ALDH1A1 340/4885CA12 4397/4885CA1 3824/4885
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 ALDH1A1 340/4885CA12 4397/4885CA1 3824/4885

“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.