SCHEMBL6973225

SCHEMBL6973225

Cc1ccc(C(=O)OC[C@H]2O[C@@H](C)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.53
HPGD P15428 1/20 0.47
LGALS9 O00182 1/20 0.41
LGALS1 P09382 1/20 0.41
LGALS3 P17931 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
RAB9A P51151 4/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 1/20 0.39
RNASE1 P07998 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL19412748 1.00 UPP1 (0.53) UPP1HPGDLGALS9LGALS1LGALS3
SCHEMBL21637038 1.00 UPP1 (0.53) UPP1HPGDLGALS9LGALS1LGALS3
SCHEMBL21913196 1.00 UPP1 (0.53) UPP1HPGDLGALS9LGALS1LGALS3
SCHEMBL21637059 0.89 UPP1 (0.67) UPP1HPGDPTPN1ALDH1A1MAPT
SCHEMBL27056491 0.89 UPP1 (0.67) UPP1HPGDPTPN1ALDH1A1MAPT
SCHEMBL10260315 0.89 UPP1 (0.67) UPP1HPGDPTPN1ALDH1A1MAPT
SCHEMBL13871565 0.88 UPP1 (0.51) UPP1ALDH1A1NPC1RNASE1GAA
SCHEMBL21754783 0.88 UPP1 (0.51) UPP1ALDH1A1NPC1RNASE1GAA
SCHEMBL14208919 0.88 UPP1 (0.51) UPP1ALDH1A1NPC1RNASE1GAA
SCHEMBL12352421 0.88 UPP1 (0.51) UPP1ALDH1A1NPC1RNASE1GAA

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-20110275589-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) 2011-11-10 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 (3 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 UPP1 1243/4885HPGD 289/4885LGALS9 1865/4885
US-20110275589-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 UPP1 1243/4885HPGD 289/4885LGALS9 1865/4885
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 UPP1 1243/4885HPGD 289/4885LGALS9 1865/4885

“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.