SCHEMBL29709529

SCHEMBL29709529

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.53
CYP2D6 P10635 1/20 0.51
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA12 O43570 15/20 0.48
CA1 P00915 15/20 0.48
CA9 Q16790 15/20 0.48
CA14 Q9ULX7 4/20 0.47
PRKCA P17252 1/20 0.45
AKT1 P31749 1/20 0.45
PTK2 Q05397 1/20 0.45
TSHR P16473 1/20 0.45
NR3C1 P04150 1/20 0.45
FYN P06241 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL29709523 1.00 CA2 (0.53) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL12128029 0.94 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL543668 0.94 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL16383664 0.94 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL5047747 0.94 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL543667 0.94 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL1753653 0.94 CA2 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL29601003 0.87 CYP2D6 (0.55) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL12157410 0.86 CYP2D6 (0.66) CA2CYP2D6THRBHSD17B10CA12
SCHEMBL14365714 0.86 CYP2D6 (0.66) CA2CYP2D6THRBHSD17B10CA12

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-20220273829-A1 RADIOLABELED SUGARS FOR IMAGING OF FUNGAL INFECTIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2022-09-01 US disclosed
EP-4007612-A1 RADIOLABELED SUGARS FOR IMAGING OF FUNGAL INFECTIONS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2022-06-08 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-20220273829-A1 RADIOLABELED SUGARS FOR IMAGING OF FUNGAL INFECTIONS DPM1, FUT5, FUT6 CA2 3382/4885CYP2D6 1448/4885THRB 3266/4885

“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.