SCHEMBL4461577

SCHEMBL4461577

CC(=O)OC[C@H]1O[C@@H](OS(C)(=O)=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.63
THRB P10828 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CA2 P00918 13/20 0.57
CA12 O43570 12/20 0.56
CA1 P00915 11/20 0.56
CA9 Q16790 10/20 0.56
CA4 P22748 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.51
NR3C1 P04150 1/20 0.51
FYN P06241 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADRA2B P18089 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL4475784 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL12732788 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL13901312 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL223457 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL12942109 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL23266161 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL13410454 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL21945978 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL22330671 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL7151976 0.85 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373285-A4 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INT (US) 2009-09-09 EP disclosed
WO-2006055644-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 WO disclosed
US-20050272670-A1 Synthesis and use of glycodendrimer reagents DAVIS BENJAMIN G 2005-12-08 US disclosed
EP-1373285-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2004-01-02 EP disclosed
US-6627744-B2 A chemically modified mutant protein, e.g. an enzyme, having a substituted cysteine reacted with a glyosyslated thiosulfate; high esterase activity and low amidase activity of subtilisins; protease to degrade lectins GENENCOR INTERNATIONAL, INC. 2003-09-30 US disclosed
WO-2002079394-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2002-10-10 WO disclosed
US-20020019039-A1 Synthesis and use of glycodendrimer reagents GENENCOR INTERNATIONAL, INC. 2002-02-14 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-20020019039-A1 Synthesis and use of glycodendrimer reagents STT3A, STT3B, PTMS CYP2D6 1808/4885THRB 3866/4885HSD17B10 2809/4885
US-20050272670-A1 Synthesis and use of glycodendrimer reagents STT3A, PTMS, STT3B CYP2D6 1974/4885THRB 3941/4885HSD17B10 3002/4885

“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.