SCHEMBL10182606

SCHEMBL10182606

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ THRB P10828 1/20 0.39
▸ CD44 P16070 1/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADRA2B P18089 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
SCHEMBL10181805 0.95 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTCYP2C19HSD17B10
SCHEMBL16127013 0.90 CA12 (0.40) ALDH1A1CYP3A4MAPTCYP2C19HSD17B10
SCHEMBL10181884 0.84 CA12 (0.40) ALDH1A1CYP3A4MAPTCYP2C19HSD17B10
SCHEMBL8271832 0.82 SMN1; SMN2 (0.43) ALDH1A1TDP1BCHE
SCHEMBL13261036 0.81 TSHR (0.41) CYP3A4MAPTCYP2C19HSD17B10CYP2D6
SCHEMBL13431329 0.81 CA12 (0.51) CYP3A4CYP2C19HSD17B10CYP2D6THRB
SCHEMBL12884478 0.81 CA12 (0.51) CYP3A4CYP2C19HSD17B10CYP2D6THRB
SCHEMBL21969575 0.81 CA12 (0.51) CYP3A4CYP2C19HSD17B10CYP2D6THRB
SCHEMBL21842371 0.81 CA12 (0.51) CYP3A4CYP2C19HSD17B10CYP2D6THRB
SCHEMBL14142697 0.81 CA12 (0.51) CYP3A4CYP2C19HSD17B10CYP2D6THRB

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 ALDH1A1 340/4885CYP3A4 181/4885MAPT 3846/4885

“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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