SCHEMBL25496003

SCHEMBL25496003

CC[C@H]1O[C@@H](c2cnc3c(NC(=O)c4ccccc4)ncnn23)C(O[Si](C)(C)C(C)(C)C)[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TMPRSS2 O15393 1/20 0.32
▸ TTK P33981 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ P2RY6 Q15077 1/20 0.30
▸ P2RY14 Q15391 1/20 0.30
▸ PRMT6 Q96LA8 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL25495980 0.94 TMPRSS2 (0.36) TMPRSS2
SCHEMBL25496000 0.88 PDE4B (0.31) PDE4B
SCHEMBL25495781 0.85 ADORA3 (0.42) HTTTTK
SCHEMBL25495999 0.84 TMPRSS2 (0.32) TDP1TMPRSS2
SCHEMBL25496001 0.83 — —
SCHEMBL26298195 0.82 ALDH1A1 (0.37) HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL19101768 0.81 TMPRSS2 (0.42) TDP1TMPRSS2
SCHEMBL19101885 0.81 TMPRSS2 (0.37) TDP1TMPRSS2P2RY6P2RY14
SCHEMBL16708476 0.80 SMN1; SMN2 (0.35) TDP1HTTTMPRSS2ALDH1A1TSHR
SCHEMBL25495888 0.79 PTPN1 (0.32) PDE4BTDP1LMNATP53ALDH1A1

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 PDE4B 50/4885TDP1 127/4885HTT 4094/4885

“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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