SCHEMBL25495987

SCHEMBL25495987

O=C(Nc1ncnn2c([C@@H]3O[C@H](CO)C(O)[C@@H]3O)cnc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.41
▸ ADORA1 P30542 5/20 0.40
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ LGALS9 O00182 1/20 0.39
▸ LGALS1 P09382 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS7; LGALS7B P47929 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SLC5A2 P31639 1/20 0.39
▸ HK1 P19367 1/20 0.39
▸ HK2 P52789 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL25495980 0.85 TMPRSS2 (0.36) TMPRSS2ADORA1ADORA3ADORA2AADORA2B
SCHEMBL16708473 0.85 TMPRSS2 (0.49) TMPRSS2ADORA1ADORA3ADORA2AADORA2B
SCHEMBL18490384 0.85 GALR3 (0.41) TMPRSS2ADORA1ADORA3LGALS9LGALS1
SCHEMBL25495792 0.82 ADORA3 (0.49) ADORA1ADORA3ADORA2ALGALS9LGALS1
SCHEMBL21063348 0.82 ALDH1A1 (0.37) LGALS3ALDH1A1SMN1; SMN2
SCHEMBL25496003 0.78 PDE4B (0.33) TMPRSS2TP53TDP1ALDH1A1LMNA
SCHEMBL18510821 0.78 TTK (0.36) TMPRSS2ADORA3TDP1ALDH1A1SMN1; SMN2
SCHEMBL25495999 0.78 TMPRSS2 (0.32) TMPRSS2TDP1
SCHEMBL16708477 0.77 TMPRSS2 (0.47) TMPRSS2ADORA1ADORA3ADORA2AADORA2B
SCHEMBL22569958 0.77 TSHR (0.51) ADORA1ADORA3ADORA2AADORA2BTP53

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 3340/4885ADORA1 218/4885ADORA3 384/4885

“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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