SCHEMBL18522005

SCHEMBL18522005

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OP(O)(=S)OC[C@H]2OC(n3ccc4c(N)ncnc43)C[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 1/20 0.52
▸ P2RY4 P51582 1/20 0.52
▸ P2RY6 Q15077 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ F2 P00734 1/20 0.49
▸ STING1 Q86WV6 6/20 0.49
▸ DTYMK P23919 4/20 0.46
▸ NT5E P21589 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ FUT5 Q11128 1/20 0.42
▸ RNASEL Q05823 1/20 0.42

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
SCHEMBL22381511 1.00 P2RY2 (0.52) P2RY2P2RY4P2RY6POLBF2
SCHEMBL18511009 1.00 P2RY2 (0.52) P2RY2P2RY4P2RY6POLBF2
SCHEMBL18521947 0.92 POLB (0.56) P2RY2P2RY4P2RY6POLBF2
SCHEMBL22399381 0.92 POLB (0.56) P2RY2P2RY4P2RY6POLBF2
SCHEMBL25818243 0.92 P2RY2 (0.52) P2RY2P2RY4P2RY6POLBF2
SCHEMBL21942746 0.91 STING1 (0.45) P2RY2P2RY4P2RY6POLBF2
SCHEMBL18521688 0.91 P2RY2 (0.44) P2RY2P2RY4P2RY6POLBF2
SCHEMBL22399568 0.90 NT5E (0.49) STING1NT5ETAS1R3TAS1R1FUT5
SCHEMBL18521035 0.90 NT5E (0.49) STING1NT5ETAS1R3TAS1R1FUT5
SCHEMBL18511011 0.90 NT5E (0.49) STING1NT5ETAS1R3TAS1R1FUT5

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 P2RY2 88/4885P2RY4 192/4885P2RY6 266/4885

“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