SCHEMBL22399343

SCHEMBL22399343

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)nc(F)nc43)[C@H](O)[C@@H]2O[PH](=O)O)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.55
▸ RNASEL Q05823 10/20 0.55
▸ TGM2 P21980 1/20 0.52
▸ NT5E P21589 3/20 0.52
▸ LMNA P02545 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL22399216 0.92 RNASEL (0.66) RNASEL
SCHEMBL22399401 0.92 RNASEL (0.66) RNASEL
SCHEMBL24499705 0.91 CA5A (0.64) CA5ARNASELTGM2NT5ELMNA
SCHEMBL18510923 0.91 CA5A (0.64) CA5ARNASELTGM2NT5ELMNA
SCHEMBL21942697 0.89 CA5A (0.63) CA5ARNASELTGM2NT5E
SCHEMBL22399219 0.88 RNASEL (0.53) RNASELTGM2NT5E
SCHEMBL21942777 0.88 RNASEL (0.55) RNASELTGM2
SCHEMBL21539231 0.88 RNASEL (0.60) RNASELTGM2
SCHEMBL22381843 0.88 RNASEL (0.57) RNASELTGM2NT5E
SCHEMBL22399660 0.88 RNASEL (0.57) RNASELTGM2NT5E

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CA5A 2818/4885RNASEL 574/4885TGM2 3107/4885

“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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