SCHEMBL4279232

SCHEMBL4279232

COC1(C)O[C@@H]2[C@@H](OC1(C)OC)[C@@H](O)[C@H](Sc1ccccc1)O[C@H]2C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 3/20 0.32
LGALS3 P17931 3/20 0.31
GSTA2 P09210 1/20 0.30
GSTM1 P09488 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
SCHEMBL13657211 1.00 GSTP1 (0.32) GSTP1LGALS3GSTA2GSTM1
SCHEMBL7458744 0.86 CYP3A4 (0.35) LGALS3
SCHEMBL14968526 0.86 CYP3A4 (0.35) LGALS3
SCHEMBL7999756 0.86 CYP3A4 (0.35) LGALS3
SCHEMBL582240 0.86 CYP3A4 (0.35) LGALS3
SCHEMBL14962616 0.86 CYP3A4 (0.35) LGALS3
SCHEMBL4274371 0.80 GSTP1 (0.40) GSTP1GSTA2GSTM1
SCHEMBL13657214 0.80 GSTP1 (0.40) GSTP1GSTA2GSTM1
SCHEMBL12691080 0.77 CYP3A4 (0.34) LGALS3
SCHEMBL5691368 0.74 FUCA1 (0.44) LGALS3

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-7605241-B2 Synthesis of inhibitors of p90Rsk UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-10-20 US disclosed
US-20080269144-A1 Synthesis of Inhibitors of P90Rsk UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-10-30 US disclosed
EP-1845778-A2 SYNTHESIS OF INHIBITORS OF P90RSK UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-10-24 EP disclosed
WO-2006086103-A2 SYNTHESIS OF INHIBITORS OF P90RSK UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-08-17 WO 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-20080269144-A1 Synthesis of Inhibitors of P90Rsk RAF1, KSR1, STK10 GSTP1 2365/4885LGALS3 4526/4885GSTA2 3896/4885

“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.