SCHEMBL22266762

SCHEMBL22266762

CC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](NC)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ NT5E P21589 1/20 0.44
▸ STING1 Q86WV6 3/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ GSK3A P49840 2/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ MAPK14 Q16539 2/20 0.42

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
SCHEMBL17193423 0.88 ADORA3 (0.55) HINT1ADORA3TAAR1HPGDNT5E
SCHEMBL25401067 0.87 ADORA3 (0.51) HINT1ADORA3TAAR1HPGDNT5E
SCHEMBL15070633 0.87 ADORA3 (0.51) HINT1ADORA3TAAR1HPGDNT5E
SCHEMBL12851722 0.85 ADORA3 (0.53) HINT1ADORA3TAAR1HPGDNT5E
SCHEMBL562134 0.82 ADORA3 (0.59) HINT1ADORA3TAAR1HPGDNT5E
SCHEMBL562135 0.82 ADORA3 (0.59) HINT1ADORA3TAAR1HPGDNT5E
SCHEMBL23394181 0.79 ADORA3 (0.53) HINT1ADORA3STING1PDE3BPDE3A
SCHEMBL25402880 0.79 ADORA3 (0.53) HINT1ADORA3STING1PDE3BPDE3A
SCHEMBL25400020 0.79 ADORA3 (0.55) HINT1ADORA3HPGDNT5ESTING1
SCHEMBL1375398 0.79 ADORA3 (0.55) HINT1ADORA3TAAR1HPGDNT5E

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-10723754-B2 2′,4′-bridged nucleosides for HCV infection IDENIX PHARMACEUTICALS LLC (US) 2020-07-28 — — 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-10723754-B2 2′,4′-bridged nucleosides for HCV infection SLC29A1, SLC28A1, SLC29A2 HINT1 1411/4885ADORA3 212/4885TAAR1 1539/4885

“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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