SCHEMBL20435017

SCHEMBL20435017

COc1ccc(COc2ccc(CNc3ncnc4c3ncn4[C@@H]3O[C@H](CSC(=O)NCC(=O)OCC(Cl)(Cl)Cl)C4OC(C)(C)OC43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.41
▸ DNMT3B Q9UBC3 1/20 0.41
▸ ADORA3 P0DMS8 4/20 0.41
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ SLC29A1 Q99808 4/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL20435020 1.00 DNMT1 (0.41) DNMT1DNMT3BADORA3ADORA2BADORA1
SCHEMBL26292123 0.93 ADORA3 (0.43) DNMT1DNMT3BADORA3ADORA2BADORA1
SCHEMBL24505731 0.89 ADORA3 (0.48) DNMT1DNMT3BADORA3ADORA2BADORA1
SCHEMBL20435023 0.87 SLC29A1 (0.48) DNMT1DNMT3BADORA3SLC29A1CYP3A4
SCHEMBL20435022 0.87 SLC29A1 (0.48) DNMT1DNMT3BADORA3SLC29A1CYP3A4
SCHEMBL26292122 0.87 SLC29A1 (0.48) DNMT1DNMT3BADORA3SLC29A1CYP3A4
SCHEMBL24505817 0.85 — —
SCHEMBL24505811 0.83 ADORA3 (0.44) ADORA3ADORA2BADORA1SLC29A1TSHR
SCHEMBL20434958 0.83 ADORA3 (0.44) ADORA3ADORA2BADORA1SLC29A1TSHR
SCHEMBL20435000 0.83 ADORA3 (0.45) ADORA3ADORA2BADORA1SLC29A1

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 3 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
EP-3573996-B1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2022-06-15 — — EP 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 DNMT1 962/4885DNMT3B 1007/4885ADORA3 3/4885

“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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