SCHEMBL25495980

SCHEMBL25495980

CC(C)(C)[Si](C)(C)OC1[C@@H](O)[C@@H](CO)O[C@H]1c1cnc2c(NC(=O)c3ccccc3)ncnn12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ LGALS9 O00182 2/20 0.35
▸ LGALS1 P09382 2/20 0.35
▸ LGALS3 P17931 2/20 0.35
▸ LGALS7; LGALS7B P47929 2/20 0.35
▸ ADORA1 P30542 5/20 0.35
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ FGF1 P05230 1/20 0.33
▸ FGF2 P09038 1/20 0.33
▸ VEGFA P15692 1/20 0.33
▸ HPSE Q9Y251 1/20 0.33

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
SCHEMBL25496003 0.94 PDE4B (0.33) TMPRSS2
SCHEMBL25495999 0.89 TMPRSS2 (0.32) TMPRSS2
SCHEMBL19101768 0.88 TMPRSS2 (0.42) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL25495783 0.85 ADORA3 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BADORA3
SCHEMBL25495987 0.85 TMPRSS2 (0.41) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL25496000 0.84 PDE4B (0.31) —
SCHEMBL19101885 0.81 TMPRSS2 (0.37) TMPRSS2
SCHEMBL16708478 0.80 TMPRSS2 (0.39) TMPRSS2ADORA3
SCHEMBL25495889 0.79 LGALS9 (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BADORA1
SCHEMBL25495781 0.79 ADORA3 (0.42) ADORA3

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-20230146410-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2023-05-11 — — 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-20230146410-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, MAVS TMPRSS2 3340/4885LGALS9 3752/4885LGALS1 3588/4885

“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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