SCHEMBL21263831

SCHEMBL21263831

N#CCCOP1(=O)OC[C@H]2C[C@@H](n3cnc4c(=O)n5ccn(CCc6ccc([N+](=O)[O-])cc6)c5nc43)[C@@H]2COP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 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
SCHEMBL24444142 0.95 SLC29A1 (0.32) SLC29A1
SCHEMBL25688781 0.78 STING1 (0.43) —
SCHEMBL22349174 0.78 STING1 (0.40) —
SCHEMBL21263916 0.77 STING1 (0.35) —
SCHEMBL17860535 0.75 STING1 (0.51) —
SCHEMBL25688763 0.74 STING1 (0.41) —
SCHEMBL24321953 0.74 SLC29A1 (0.38) SLC29A1
SCHEMBL24321999 0.73 SLC29A1 (0.37) SLC29A1
SCHEMBL24444063 0.73 STING1 (0.41) —
SCHEMBL20691351 0.72 STING1 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10519187-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2019-12-31 — — US disclosed
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-08-15 — — 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 (2 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-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 SLC29A1 537/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 SLC29A1 537/4885

“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.

Send feedback