SCHEMBL26292122

SCHEMBL26292122

COc1ccc(COc2ccc(CNc3ncnc4c3ncn4[C@@H]3O[C@H](CSC(C)=O)C4OC(C)(C)O[C@@H]43)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 3/20 0.48
▸ ADORA3 P0DMS8 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ DNMT1 P26358 1/20 0.46
▸ DNMT3B Q9UBC3 1/20 0.46

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
SCHEMBL20435023 1.00 SLC29A1 (0.48) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL20435022 1.00 SLC29A1 (0.48) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL24505731 0.92 ADORA3 (0.48) SLC29A1ADORA3TSHRDNMT1DNMT3B
SCHEMBL20435006 0.89 PI4KA (0.56) SLC29A1ADORA3
SCHEMBL26292145 0.89 PI4KA (0.56) SLC29A1ADORA3
SCHEMBL20435009 0.89 PI4KA (0.56) SLC29A1ADORA3
SCHEMBL26292123 0.88 ADORA3 (0.43) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL20434991 0.87 SLC29A1 (0.48) SLC29A1ADORA3
SCHEMBL20435017 0.87 DNMT1 (0.41) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL20435020 0.87 DNMT1 (0.41) SLC29A1ADORA3CYP3A4TSHRNFKB1

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 1 patent. 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

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 347/4885ADORA3 3/4885CYP3A4 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.

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