SCHEMBL23326497

SCHEMBL23326497

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(NC(=O)C(C)C)nc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.33
▸ POLA1 P09884 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30

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
SCHEMBL20774001 0.91 KDM4E (0.44) KDM4EALDH1A1POLA1MEN1KMT2A
SCHEMBL23326502 0.90 HPGD (0.39) MEN1KMT2A
SCHEMBL23326713 0.88 KDM4E (0.41) KDM4EALDH1A1POLA1TAS1R3TAS1R1
SCHEMBL25741210 0.80 CYP3A4 (0.31) —
SCHEMBL25741209 0.80 CYP3A4 (0.31) —
SCHEMBL20250994 0.79 KDM4E (0.46) KDM4EALDH1A1POLA1MEN1KMT2A
SCHEMBL23351465 0.78 KDM4E (0.45) KDM4EALDH1A1POLA1MEN1KMT2A
SCHEMBL23326496 0.75 ADORA2B (0.32) —
SCHEMBL20773596 0.74 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ATAS1R3
SCHEMBL25496217 0.71 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2ATAS1R3

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 KDM4E 2709/4885ALDH1A1 521/4885POLA1 1326/4885
US-20210139524-A1 SPIROTHIETANE NUCLEOSIDES SAMHD1, SLC28A1, SLC28A2 KDM4E 2709/4885ALDH1A1 521/4885POLA1 1326/4885

“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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