SCHEMBL1208976

SCHEMBL1208976

NC(=O)NC1O[C@H](CO)[C@@H](O)[C@H]1O

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
SCHEMBL22195972 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110664655-B Cell culture solution 西安博和医疗科技有限公司 2023-02-28 CN disclosed
US-20110042247-A1 FORMULATIONS OF AZACITIDINE AND ITS DERIVATIVES DR. REDDY'S LABORATORIES LIMITED (IN) 2011-02-24 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-20110042247-A1 FORMULATIONS OF AZACITIDINE AND ITS DERIVATIVES AZI2, TP53, TET2 PYGB 4663/4885GAA 1121/4885CA1 3578/4885

“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.