SCHEMBL18521233

SCHEMBL18521233

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2O[P@](=O)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)C[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ P2RY2 P41231 1/20 0.53
▸ P2RY4 P51582 1/20 0.53
▸ P2RY6 Q15077 1/20 0.53
▸ F2 P00734 1/20 0.50
▸ STING1 Q86WV6 11/20 0.48
▸ TYMP P19971 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ FUT5 Q11128 1/20 0.47
▸ P2RX3 P56373 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL18522257 0.93 POLB (0.59) POLBP2RY2P2RY4P2RY6F2
SCHEMBL23619493 0.93 P2RY2 (0.53) POLBP2RY2P2RY4P2RY6F2
SCHEMBL23619364 0.93 P2RY2 (0.53) POLBP2RY2P2RY4P2RY6F2
SCHEMBL24239208 0.92 POLB (0.56) POLBP2RY2P2RY4P2RY6F2
SCHEMBL18521023 0.92 POLB (0.56) POLBP2RY2P2RY4P2RY6F2
SCHEMBL18521172 0.92 POLB (0.56) POLBP2RY2P2RY4P2RY6F2
SCHEMBL23619404 0.92 POLB (0.51) POLBP2RY2P2RY4P2RY6F2
SCHEMBL22399706 0.91 POLB (0.57) POLBP2RY2P2RY4P2RY6F2
SCHEMBL18520884 0.91 POLB (0.57) POLBP2RY2P2RY4P2RY6F2
SCHEMBL18521147 0.90 NT5E (0.54) STING1NT5EFUT5P2RX3TGM2

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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 POLB 354/4885P2RY2 88/4885P2RY4 192/4885

“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