Sugi Predict

Sugi Predict / Compounds / SCHEMBL6972453

SCHEMBL6972453

SCHEMBL6972453

CC(=O)O[C@]1(C)[C@@H](COC(=O)c2ccccc2)O[C@@H](C)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ ABCB1 P08183 15/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC43A1 O75387 1/20 0.38

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
SCHEMBL29324933 0.95 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1TSHRSLC43A1
SCHEMBL12111919 0.88 ALDH1A1 (0.44) ALDH1A1ABCB1NPC1TSHRSLC43A1
SCHEMBL12112020 0.88 ALDH1A1 (0.44) ALDH1A1ABCB1NPC1TSHRSLC43A1
SCHEMBL14724959 0.87 ALDH1A1 (0.48) ALDH1A1ABCB1NPC1TSHR
SCHEMBL10148068 0.86 ALDH1A1 (0.43) ALDH1A1ABCB1NPC1TSHR
SCHEMBL4284935 0.86 ALDH1A1 (0.43) ALDH1A1ABCB1NPC1
SCHEMBL10147725 0.86 ALDH1A1 (0.43) ALDH1A1ABCB1NPC1TSHR
SCHEMBL20557502 0.84 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1TSHR
SCHEMBL16576324 0.84 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1TSHR
SCHEMBL27087661 0.84 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1TSHR

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 ALDH1A1 340/4885ABCB1 381/4885NPC1 1441/4885
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 ALDH1A1 340/4885ABCB1 381/4885NPC1 1441/4885
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 340/4885ABCB1 381/4885NPC1 1441/4885

“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.