SCHEMBL22367603

SCHEMBL22367603

OC[C@@H]1OC(CO)(OC2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PYGB P11216 8/20 0.35
PYGL P06737 3/20 0.35
PYGM P11217 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22367602 1.00 CDK1 (0.50) CDK1CCNB1CA2CA9PYGB
SCHEMBL18179078 0.84 CDK1 (0.49) CDK1CCNB1CA2CA9PYGB
SCHEMBL20552346 0.84 CDK1 (0.49) CDK1CCNB1CA2CA9PYGB
SCHEMBL5148638 0.84 CDK1 (0.49) CDK1CCNB1CA2CA9PYGB
SCHEMBL4280532 0.84 CDK1 (0.49) CDK1CCNB1CA2CA9PYGB
SCHEMBL28266643 0.84 CDK1 (0.49) CDK1CCNB1CA2CA9PYGB
SCHEMBL3788926 0.84 CDK1 (0.48) CDK1CCNB1CA2CA9PYGB
SCHEMBL10910296 0.84 CDK1 (0.48) CDK1CCNB1CA2CA9PYGB
SCHEMBL3788922 0.84 CDK1 (0.48) CDK1CCNB1CA2CA9PYGB
SCHEMBL13264607 0.84 CDK1 (0.48) CDK1CCNB1CA2CA9PYGB

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-20200345858-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF ERGOT ALKALOID TOXICITY LINDA LIGHT 2020-11-05 US disclosed
EP-3700523-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF ERGOT ALKALOID TOXICITY Light, Linda (US) 2020-09-02 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-20200345858-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF ERGOT ALKALOID TOXICITY FH, CRH, HYPK CDK1 2848/4885CCNB1 4033/4885CA2 3111/4885

“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.