SCHEMBL22195972

SCHEMBL22195972

NC(=O)NC1OC(CO)C(O)C1O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.62
GAA P10253 1/20 0.62
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA9 Q16790 6/20 0.54
CA12 O43570 3/20 0.54
AKR1B1 P15121 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
SCHEMBL1208976 1.00 PYGB (0.62) PYGBGAACA1CA2CA9
SCHEMBL1208980 1.00 PYGB (0.62) PYGBGAACA1CA2CA9
SCHEMBL28491648 0.98 PYGB (0.65) PYGBGAACA1CA2CA9
SCHEMBL10939188 0.98 PYGB (0.65) PYGBGAACA1CA2CA9
SCHEMBL4816502 0.98 PYGB (0.65) PYGBGAACA1CA2CA9
SCHEMBL13563944 0.84 PYGB (0.45) PYGBGAACA1CA2CA9
SCHEMBL13564576 0.84 PYGB (0.45) PYGBGAACA1CA2CA9
SCHEMBL29977113 0.83 CA12 (0.57) PYGBGAACA1CA2CA9
SCHEMBL30498599 0.83 CA12 (0.57) PYGBGAACA1CA2CA9
SCHEMBL30957909 0.82 PYGB (0.69) PYGBGAACA1CA2CA9

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
EP-3512486-B2 BLUE POWDER AND USE THEREOF IN COSMETICS OREAL (FR) 2023-07-12 EP disclosed
WO-2021191830-A1 METHODS AND REAGENTS FOR SYNTHESIZING NUCLEOSIDES AND ANALOGUES THEREOF SIMON FRASER UNIVERSITY (CA) 2021-09-30 WO disclosed
EP-3512486-B1 BLUE POWDER AND USE THEREOF IN COSMETICS OREAL (FR) 2020-10-21 EP disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 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-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 PYGB 4744/4885GAA 2035/4885CA1 3467/4885

“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.