SCHEMBL6975398

SCHEMBL6975398

CC[C@H]1O[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 15/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC43A1 O75387 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL6972631 1.00 ABCB1 (0.41) ABCB1TSHRKMT2ASLC43A1GAA
SCHEMBL12702751 0.81 GAA (0.40) ABCB1TSHRKMT2ASLC43A1GAA
SCHEMBL12702749 0.81 GAA (0.40) ABCB1TSHRKMT2ASLC43A1GAA
SCHEMBL12702706 0.81 GAA (0.40) ABCB1TSHRKMT2ASLC43A1GAA
SCHEMBL14615902 0.78 ALDH1A1 (0.44) ABCB1TSHRKMT2ASLC43A1
SCHEMBL12112020 0.78 ALDH1A1 (0.44) ABCB1TSHRKMT2ASLC43A1
SCHEMBL12111919 0.78 ALDH1A1 (0.44) ABCB1TSHRKMT2ASLC43A1
SCHEMBL17976786 0.76 ALDH1A1 (0.46) ABCB1TSHRKMT2A
SCHEMBL23619215 0.74 ABCB1 (0.41) ABCB1TSHRKMT2ASLC43A1GAA
SCHEMBL20557502 0.74 ALDH1A1 (0.45) ABCB1TSHRKMT2A

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 ABCB1 381/4885TSHR 2594/4885KMT2A 3532/4885
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 ABCB1 381/4885TSHR 2594/4885KMT2A 3532/4885

“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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