SCHEMBL21539355

SCHEMBL21539355

Nc1nc2c(nnn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OP(=O)(S)OC[C@H]2O[C@@H](c3cnc4c(N)ncnn34)C[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 7/20 0.37
▸ POLB P06746 1/20 0.36
▸ P2RY2 P41231 1/20 0.34
▸ P2RY4 P51582 1/20 0.34
▸ P2RY6 Q15077 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ FUT5 Q11128 1/20 0.33
▸ PNP P00491 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ KRAS P01116 1/20 0.32

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
SCHEMBL24499269 0.94 STING1 (0.38) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL18521646 0.92 STING1 (0.37) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL18511033 0.92 STING1 (0.37) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL24499642 0.92 STING1 (0.37) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL22381960 0.90 STING1 (0.46) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL24499551 0.90 STING1 (0.46) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL18520923 0.90 STING1 (0.46) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL22399551 0.87 POLB (0.38) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL18510973 0.87 POLB (0.38) STING1POLBP2RY2P2RY4P2RY6
SCHEMBL22381666 0.87 STING1 (0.36) STING1POLBP2RY2P2RY4P2RY6

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-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 — — 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-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS STING1 1/4885POLB 240/4885P2RY2 368/4885

“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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