SCHEMBL22399209

SCHEMBL22399209

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2C[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]cnc32)[C@@H](O[PH](=O)O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 6/20 0.55
▸ P2RX3 P56373 2/20 0.52
▸ P2RY1 P47900 4/20 0.51
▸ P2RY2 P41231 3/20 0.51
▸ SRC P12931 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ P2RX1 P51575 1/20 0.51
▸ P2RX4 Q99571 1/20 0.51
▸ P2RX2 Q9UBL9 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ DNPH1 O43598 1/20 0.51
▸ PRKAB2 O43741 1/20 0.51
▸ TRPM2 O94759 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PDE4D Q08499 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
SCHEMBL22399293 0.93 RNASEL (0.49) RNASELP2RX3
SCHEMBL18510928 0.91 P2RX3 (0.64) RNASELP2RX3P2RY1P2RY2SRC
SCHEMBL22381588 0.89 RNASEL (0.66) RNASELADORA1
SCHEMBL18522261 0.86 RNASEL (0.64) RNASEL
SCHEMBL21943904 0.85 FUT5 (0.52) RNASEL
SCHEMBL18521401 0.85 P2RX3 (0.54) RNASELP2RX3P2RY1P2RY2SRC
SCHEMBL21454748 0.85 FUT5 (0.55) RNASEL
SCHEMBL21454979 0.85 FUT5 (0.55) RNASEL
SCHEMBL22399487 0.85 FUT5 (0.50) RNASEL
SCHEMBL20325280 0.85 FUT5 (0.52) RNASELP2RY2

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 RNASEL 574/4885P2RX3 127/4885P2RY1 34/4885

“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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