SCHEMBL7048177

SCHEMBL7048177

CC(=O)O[C@]1(C)[C@@H](COC(=O)c2ccccc2)O[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.43
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CES2 O00748 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PPM1B O75688 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL14036875 0.84 ALDH1A1 (0.48) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL14010467 0.84 ALDH1A1 (0.48) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL21418918 0.83 ALDH1A1 (0.60) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL20557340 0.83 ALDH1A1 (0.60) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL29324912 0.83 ALDH1A1 (0.60) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL16576319 0.83 ALDH1A1 (0.60) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL13530747 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL12151569 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL12154716 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1POLBGAA
SCHEMBL21954535 0.79 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1POLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600044-B2 Such as cis-(-)-4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone (lamivudine, 3TC) or emtricitabine via anomerization/transglycosylation BRANTFORD CHEMICALS INC. 2003-07-29 US disclosed
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers APOTEX PHARMACHEM INC (CA) 2003-01-16 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-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers SLC29A1, NUDT1, SLC28A1 ALDH1A1 838/4885HPGD 3335/4885MAPK1 1239/4885

“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.