SCHEMBL22399545

SCHEMBL22399545

O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1P(=O)(S)OC[C@H]1O[C@@H](c2cnc3c(=O)[nH]cnn23)C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.45
▸ TYMP P19971 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ STING1 Q86WV6 4/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ RPS6KA3 P51812 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ POLB P06746 1/20 0.35
▸ FUT5 Q11128 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ DTYMK P23919 2/20 0.34
▸ NADK O95544 1/20 0.34
▸ NT5E P21589 1/20 0.34

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
SCHEMBL18521224 0.92 POLB (0.46) STING1POLBFUT5NT5E
SCHEMBL22399438 0.92 POLB (0.46) STING1POLBFUT5NT5E
SCHEMBL22381585 0.88 POLB (0.45) STING1POLBFUT5NT5E
SCHEMBL24499633 0.86 NT5E (0.41) STING1POLBFUT5NT5E
SCHEMBL22381951 0.85 POLB (0.48) STING1POLBFUT5NT5E
SCHEMBL21943277 0.83 FUT5 (0.41) STING1POLBFUT5NT5E
SCHEMBL18520927 0.83 STING1 (0.46) STING1POLBFUT5NT5E
SCHEMBL18520897 0.82 POLB (0.45) STING1POLBFUT5NT5E
SCHEMBL18521595 0.79 STING1 (0.46) STING1POLBFUT5NT5E
SCHEMBL21943268 0.78 FUT5 (0.40) STING1POLBFUT5NT5E

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 P2RX3 127/4885TYMP 1508/4885ALDH1A1 4183/4885

“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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