SCHEMBL3301640

SCHEMBL3301640

COC(C)(C)OCc1ccc(COC(C)(C)OC)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.31
SNCA P37840 1/20 0.31
IDO1 P14902 2/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL30562820 1.00 GAA (0.31) GAAALDH1A1HTTRAD52SNCA
SCHEMBL1567609 0.85 PYCR1 (0.37) GAAALDH1A1HTTIDO1MAPK1
SCHEMBL29765549 0.85 PYCR1 (0.37) GAAALDH1A1HTTIDO1MAPK1
SCHEMBL31009547 0.82 ALOX15 (0.31)
SCHEMBL1567091 0.79 IDO1 (0.52) ALDH1A1HTTIDO1
SCHEMBL1567600 0.77 IDO1 (0.47) GAAALDH1A1HTTIDO1
SCHEMBL31009548 0.75
SCHEMBL755548 0.74 PTPN1 (0.39) ALDH1A1HTTSNCAIDO1
SCHEMBL31009565 0.73 HTR2A (0.40)
SCHEMBL31009556 0.73 ALDH1A1 (0.31) GAAALDH1A1HTTRAD52

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-20100093744-A1 THIOGLUCOSE SPIROKETAL DERIVATIVE AND USE THEREOF AS THERAPEUTIC AGENT FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-15 US disclosed
EP-2072522-A1 THIOGLUCOSE SPIROKETAL DERIVATIVE AND USE THEREOF AS THERAPEUTIC AGENT FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-24 EP 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-20100093744-A1 THIOGLUCOSE SPIROKETAL DERIVATIVE AND USE THEREOF AS THERAPEUTIC AGENT FOR DIABETES SLC5A1, SLC5A2, GCKR GAA 2712/4885ALDH1A1 1274/4885HTT 4201/4885

“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.