SCHEMBL23326502

SCHEMBL23326502

CCOC(=O)C[C@@]1(SCc2ccc(OC)cc2)[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ XDH P47989 1/20 0.35
▸ HINT1 P49773 3/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ RPS6KA3 P51812 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ STING1 Q86WV6 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ HPRT1 P00492 1/20 0.32

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
SCHEMBL23326497 0.90 KDM4E (0.41) MEN1KMT2A
SCHEMBL25741210 0.83 CYP3A4 (0.31) —
SCHEMBL25741209 0.83 CYP3A4 (0.31) —
SCHEMBL20774001 0.81 KDM4E (0.44) HPGDMEN1KMT2A
SCHEMBL23326713 0.78 KDM4E (0.41) —
SCHEMBL23326498 0.75 STING1 (0.39) STING1TAAR1POLB
SCHEMBL23326499 0.75 STING1 (0.39) STING1TAAR1POLB
SCHEMBL23326496 0.74 ADORA2B (0.32) —
SCHEMBL20154884 0.73 STING1 (0.41) STING1
SCHEMBL20774119 0.72 P2RY14 (0.32) —

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-11267844-B2 Spirothietane nucleosides JANSSEN PHARMACEUTICA NV (BE) 2022-03-08 — — US disclosed
EP-3676276-B1 SPIROTHIETANE NUCLEOSIDES JANSSEN PHARMACEUTICA NV (BE) 2021-12-08 — — EP disclosed
US-20210139524-A1 SPIROTHIETANE NUCLEOSIDES JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 — — 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 (2 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 HPGD 652/4885XDH 753/4885HINT1 1306/4885
US-20210139524-A1 SPIROTHIETANE NUCLEOSIDES SAMHD1, SLC28A1, SLC28A2 HPGD 652/4885XDH 753/4885HINT1 1306/4885

“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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