SCHEMBL29603744

SCHEMBL29603744

CCOC(=O)/C=C1\[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 4/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ GSK3A P49840 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ STING1 Q86WV6 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ HPRT1 P00492 3/20 0.36

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
SCHEMBL20774145 0.90 TAAR1 (0.40) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL20774144 0.90 TAAR1 (0.40) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL23326714 0.83 STING1 (0.41) TAAR1STING1PDE3BPDE3A
SCHEMBL23351365 0.78 CYP3A4 (0.33) —
SCHEMBL12729604 0.77 STING1 (0.46) STING1POLBPDE3BPDE3A
SCHEMBL8620596 0.77 STING1 (0.46) STING1POLBPDE3BPDE3A
SCHEMBL23326436 0.76 LMNA (0.36) —
SCHEMBL23326433 0.76 LMNA (0.36) —
SCHEMBL22983981 0.74 STING1 (0.60) STING1PDE3BPDE3A
SCHEMBL9964274 0.74 STING1 (0.60) STING1PDE3BPDE3A

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-11267844-B2 Spirothietane nucleosides JANSSEN PHARMACEUTICA NV (BE) 2022-03-08 — — 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-11267844-B2 Spirothietane nucleosides SAMHD1, SLC28A1, SLC28A2 HINT1 1306/4885TAAR1 2623/4885GSK3A 109/4885

“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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