SCHEMBL13523780

SCHEMBL13523780

C[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.38
▸ PI4K2B Q8TCG2 1/20 0.38
▸ PI4K2A Q9BTU6 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ GLB1 P16278 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 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
SCHEMBL12838397 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL10072844 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12858933 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL20131364 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL17110046 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24686930 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL10051725 0.87 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24686932 0.87 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL25964778 0.86 ALDH1A1 (0.34) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL7151496 0.83 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBALDH1A1

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
WO-2016135582-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2016-09-01 — — WO disclosed
US-9173892-B2 Acadesine derivatives, products and compositions including same, therapeutic uses thereof, and methods for synthesizing same UNIVERSITE NICE SOPHIA ANTIPOLIS (FR) 2015-11-03 — — US disclosed
EP-2699240-B1 ACADESINE DERIVATIVES, PRODUCTS AND COMPOSITIONS INCLUDING SAME, THERAPEUTIC USES THEREOF, AND METHODS FOR SYNTHESIZING SAME UNIVERSITÉ NICE SOPHIA ANTIPOLIS (FR) 2015-05-27 — — EP disclosed
US-20100004192-A1 4'-Substituted Nucleoside Derivatives as Inhibitors of HCV RNA Replication MARTIN JOSEPH ARMSTRONG 2010-01-07 — — 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-20100004192-A1 4'-Substituted Nucleoside Derivatives as Inhibitors of HCV RNA Replication NSUN2, RNGTT, RNMT PI4KA 1316/4885PI4K2B 1913/4885PI4K2A 2183/4885

“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.

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