SCHEMBL23989402

SCHEMBL23989402

COc1ncnc2c1c(F)cn2C1OC(CO)C(O)C1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 5/20 0.61
▸ SLC29A1 Q99808 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ DOT1L Q8TEK3 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ GALR3 O60755 1/20 0.53
▸ S1PR4 O95977 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ S1PR1 P21453 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ PAX8 Q06710 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ STAT6 P42226 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53

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
SCHEMBL23989110 1.00 ADK (0.61) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL25352899 1.00 ADK (0.61) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL23989401 0.91 ADK (0.52) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL23989400 0.91 ADK (0.52) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL17816347 0.88 ADK (0.59) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL22912605 0.87 ADK (0.62) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL20920167 0.87 ADK (0.62) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL20938178 0.87 ADK (0.60) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL17800857 0.87 ADK (0.71) ADKSLC29A1ALDH1A1HTTMAPK1
SCHEMBL7106108 0.84 HIF1A (0.65) ADKSLC29A1ALDH1A1HTTMAPK1

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-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2021-11-04 — — 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-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF STING1, CGAS, TLR9 ADK 394/4885SLC29A1 442/4885ALDH1A1 4413/4885

“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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