SCHEMBL21264010

SCHEMBL21264010

N#CCCOP1(=S)OC[C@H]2C[C@@H](n3cnc4c3ncn3ccnc43)[C@@H]2COP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.34
▸ PDE4A P27815 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PRMT6 Q96LA8 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
SCHEMBL22349195 0.91 STING1 (0.35) STING1PDE4APDE4DPDE4BPDE4C
SCHEMBL20691351 0.89 STING1 (0.44) STING1
SCHEMBL20691316 0.84 STING1 (0.32) STING1PDE4APDE4DPDE4BPDE4C
SCHEMBL22349174 0.80 STING1 (0.40) STING1PDE4APDE4DPDE4BPDE4C
SCHEMBL20691353 0.78 STING1 (0.51) STING1
SCHEMBL24444142 0.76 SLC29A1 (0.32) STING1
SCHEMBL20691315 0.76 STING1 (0.40) STING1PDE4APDE4DPDE4BPDE4C
SCHEMBL20691392 0.75 STING1 (0.59) STING1
SCHEMBL20691947 0.75 STING1 (0.49) STING1
SCHEMBL24444143 0.75 STING1 (0.55) STING1

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-11339185-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 — — US disclosed
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 (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-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 STING1 142/4885PDE4A 197/4885PDE4D 375/4885
US-11339185-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 STING1 142/4885PDE4A 197/4885PDE4D 375/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 STING1 142/4885PDE4A 197/4885PDE4D 375/4885

“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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