SCHEMBL20435011

SCHEMBL20435011

COC(=O)CNC(=O)OCC1OC(n2cnc3c(SCc4ccc(OC)cc4)ncnc32)C2OC(C)(C)OC12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 12/20 0.56
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ SLC28A3 Q9HAS3 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL20435002 1.00 SLC29A1 (0.56) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL24505864 0.93 SLC29A1 (0.57) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20434965 0.84 SLC29A1 (0.74) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20434964 0.84 SLC29A1 (0.74) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20434985 0.82 SLC29A1 (0.70) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL24505763 0.82 SLC29A1 (0.70) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20435043 0.81 SLC29A1 (0.69) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20435042 0.81 SLC29A1 (0.69) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20435031 0.80 SLC29A1 (0.72) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL24505811 0.80 ADORA3 (0.44) SLC29A1

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-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ACADEMIA SINICA (TW) 2023-09-12 — — US disclosed
WO-2018140734-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2018-08-02 — — WO 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-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ADORA2B, ADORA1, ADORA3 SLC29A1 347/4885TP53 3681/4885CYP3A4 2366/4885

“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.

Send feedback