SCHEMBL23211481

SCHEMBL23211481

O=c1[nH]cnc2c1c(F)cn2C1OC(CO)C(O)C1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 5/20 0.54
PAX8 Q06710 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 2/20 0.48
DOT1L Q8TEK3 1/20 0.48
NPC1 O15118 1/20 0.48
GALR3 O60755 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
SLC29A1 Q99808 1/20 0.48
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
DNMT1 P26358 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL22990432 1.00 ADK (0.54) ADKPAX8ALDH1A1HTTRAB9A
SCHEMBL21137753 1.00 ADK (0.54) ADKPAX8ALDH1A1HTTRAB9A
SCHEMBL18510882 1.00 ADK (0.54) ADKPAX8ALDH1A1HTTRAB9A
SCHEMBL23989399 1.00 ADK (0.54) ADKPAX8ALDH1A1HTTRAB9A
SCHEMBL24166706 1.00 ADK (0.54) ADKPAX8ALDH1A1HTTRAB9A
SCHEMBL23989440 0.91 ADK (0.46) ADKPAX8ALDH1A1HTTRAB9A
SCHEMBL23989393 0.91 ADK (0.46) ADKPAX8ALDH1A1HTTRAB9A
SCHEMBL24166703 0.90 ADK (0.45) ADKPAX8ALDH1A1HTTRAB9A
SCHEMBL25679899 0.90 ADK (0.52) ADKMAPTLMNAPMP22
SCHEMBL22883157 0.87 ADK (0.43) ADKALDH1A1HTTDOT1LTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2021-11-04 US disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 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 (3 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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ADK 544/4885PAX8 4443/4885ALDH1A1 3598/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS ADK 544/4885PAX8 4443/4885ALDH1A1 3598/4885
US-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF STING1, CGAS, TLR9 ADK 394/4885PAX8 3905/4885ALDH1A1 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.