SCHEMBL22326739

SCHEMBL22326739

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.58
▸ TGM2 P21980 1/20 0.53
▸ P2RY1 P47900 3/20 0.52
▸ P2RY2 P41231 2/20 0.52
▸ SRC P12931 1/20 0.52
▸ P2RX1 P51575 1/20 0.52
▸ P2RX3 P56373 1/20 0.52
▸ P2RX4 Q99571 1/20 0.52
▸ P2RX2 Q9UBL9 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NT5E P21589 1/20 0.52
▸ DTYMK P23919 2/20 0.52
▸ RNASEL Q05823 6/20 0.52
▸ IMPDH2 P12268 1/20 0.52

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
SCHEMBL18521628 0.95 FUT5 (0.58) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL18520836 0.95 FUT5 (0.58) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL18510901 0.95 FUT5 (0.58) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL18521330 0.95 FUT5 (0.58) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL18521309 0.95 FUT5 (0.58) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL22326689 0.94 FUT5 (0.66) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL22381773 0.91 FUT5 (0.61) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL18510908 0.91 FUT5 (0.61) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL18521985 0.91 FUT5 (0.61) FUT5TGM2P2RY1P2RY2SRC
SCHEMBL18510894 0.91 FUT5 (0.61) FUT5TGM2P2RY1P2RY2SRC

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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 FUT5 4450/4885TGM2 3085/4885P2RY1 37/4885

“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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