SCHEMBL25807895

SCHEMBL25807895

CC[C@H]1O[C@@H](n2ccc(=O)c3nccn32)[C@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CDA P32320 1/20 0.39
▸ LMNA P02545 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ EIF4E P06730 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TOP1 P11387 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SLC5A2 P31639 2/20 0.34

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
SCHEMBL25807902 0.91 MAPT (0.33) ADKMAPTCDATAS1R3TAS1R1
SCHEMBL22577499 0.89 MAPT (0.51) MAPTCDALMNASMN1; SMN2THRB
SCHEMBL25807900 0.83 ADK (0.31) ADK
SCHEMBL22577554 0.75 TYMP (0.58) ADORA1
SCHEMBL23619486 0.72 — —
SCHEMBL25807876 0.71 MAPT (0.31) MAPTCDA
SCHEMBL25808049 0.68 MAPT (0.44) ADKMAPTCDALMNATHRB
SCHEMBL22071857 0.65 L3MBTL1 (0.32) ALDH1A1
SCHEMBL22083019 0.65 CCNE1 (0.31) —
SCHEMBL26554460 0.64 MAPT (0.48) ADKMAPTCDALMNATHRB

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — 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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADK 630/4885MAPT 4841/4885CDA 134/4885

“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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