SCHEMBL21783074

SCHEMBL21783074

CC(C)OC1C(CO)OC(O)C(O)C1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
AMY2A P04746 2/20 0.34
GAA P10253 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MGAM O43451 2/20 0.33
SLC2A1 P11166 1/20 0.33
THRB P10828 1/20 0.33
AMY1A P0DUB6 1/20 0.33
SI P14410 1/20 0.33
CNR1 P21554 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
PDE3A Q14432 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
GLA P06280 1/20 0.33
TYR P14679 4/20 0.33

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
SCHEMBL24758832 1.00 MAPK1 (0.41) MAPK1AMY2AGAAALDH1A1MGAM
SCHEMBL735726 0.87 MAPK1 (0.47) MAPK1ALDH1A1SLC2A1THRB
SCHEMBL7687547 0.87 MAPK1 (0.47) MAPK1ALDH1A1SLC2A1THRB
SCHEMBL7085221 0.87 MAPK1 (0.47) MAPK1ALDH1A1SLC2A1THRB
SCHEMBL24205780 0.87 MAPK1 (0.47) MAPK1ALDH1A1SLC2A1THRB
SCHEMBL6037671 0.87 MAPK1 (0.47) MAPK1ALDH1A1SLC2A1THRB
SCHEMBL730123 0.87 MAPK1 (0.47) MAPK1ALDH1A1SLC2A1THRB
SCHEMBL21565007 0.85 AMY1A (0.41) MAPK1ALDH1A1THRBAMY1ATYR
SCHEMBL22224178 0.85 TYR (0.41) ALDH1A1THRBAMY1ATYR
SCHEMBL21535992 0.85 MAPK1 (0.34) MAPK1ALDH1A1THRBAMY1ATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017535-A1 INHIBITORS OF ALDOSE REDUCTASE BARCLAYS BANK PLC (GB) 2022-01-20 US disclosed
WO-2020205846-A1 INHIBITORS OF ALDOSE REDUCTASE APPLIED THERAPEUTICS INC. (US) 2020-10-08 WO disclosed
US-20200071736-A1 METHOD FOR THE ENZYMATIC SACCHARIFICATION OF A POLYSACCHARIDE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-03-05 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-20220017535-A1 INHIBITORS OF ALDOSE REDUCTASE PMM2, DPM1, BPGM MAPK1 1805/4885AMY2A 581/4885GAA 64/4885

“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.