SCHEMBL24239209

SCHEMBL24239209

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.58
▸ NT5E P21589 2/20 0.58
▸ P2RY1 P47900 4/20 0.56
▸ P2RY2 P41231 3/20 0.56
▸ SRC P12931 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ DNPH1 O43598 1/20 0.56
▸ PRKAB2 O43741 1/20 0.56
▸ TRPM2 O94759 1/20 0.56
▸ LDHA P00338 1/20 0.56
▸ ADRB2 P07550 1/20 0.56
▸ FBP1 P09467 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ PRKAG1 P54619 1/20 0.56
▸ PRKAA2 P54646 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ PRKAA1 Q13131 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.56

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
SCHEMBL18510962 1.00 FUT5 (0.58) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL18522001 1.00 FUT5 (0.58) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL18521558 1.00 FUT5 (0.58) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL18521167 1.00 FUT5 (0.58) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL18521636 1.00 FUT5 (0.58) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL18521642 0.94 NT5E (0.55) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL18521369 0.94 NT5E (0.55) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL24239191 0.94 NT5E (0.55) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL22381613 0.94 NT5E (0.55) FUT5NT5EP2RY1P2RY2SRC
SCHEMBL18521519 0.94 NT5E (0.55) FUT5NT5EP2RY1P2RY2SRC

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-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — 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-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 FUT5 4467/4885NT5E 1230/4885P2RY1 28/4885

“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