SCHEMBL24322109

SCHEMBL24322109

N#CCCOP1(=O)OC[C@H]2O[C@@H](n3nnc4c([N+](=O)[O-])cccc43)C[C@@H]2OP(=S)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SLC29A1 Q99808 2/20 0.32
▸ PDE4A P27815 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ LMNA P02545 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
SCHEMBL20691316 0.81 STING1 (0.32) STING1RXFP1PDE4APDE4DPDE4B
SCHEMBL17860535 0.79 STING1 (0.51) STING1
SCHEMBL24323042 0.78 STING1 (0.48) STING1PDE4APDE4DPDE4BPDE4C
SCHEMBL20792265 0.77 STING1 (0.45) STING1
SCHEMBL22349195 0.76 STING1 (0.35) STING1RXFP1NPSR1PDE4APDE4D
SCHEMBL24209162 0.75 STING1 (0.47) STING1
SCHEMBL24209160 0.75 STING1 (0.47) STING1
SCHEMBL20691351 0.74 STING1 (0.44) STING1
SCHEMBL22349174 0.74 STING1 (0.40) STING1PDE4APDE4DPDE4BPDE4C
SCHEMBL20908816 0.74 STING1 (0.51) STING1PDE4APDE4DPDE4BPDE4C

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-11660311-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-30 — — US disclosed
US-20220117995-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-04-21 — — 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-11660311-B2 Cyclic dinucleotides as anticancer agents DPYD, CD38, DUT STING1 159/4885RXFP1 4853/4885NPSR1 4240/4885
US-20220117995-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, CD38, DUT STING1 159/4885RXFP1 4853/4885NPSR1 4240/4885

“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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