SCHEMBL24444141

SCHEMBL24444141

CCOP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](F)[C@@H]1OP(=O)(S)OC[C@H]1C[C@@H](c2ccnc(C(N)=O)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 7/20 0.46
▸ NT5E P21589 1/20 0.44
▸ ADH1A P07327 1/20 0.43
▸ FHIT P49789 2/20 0.42
▸ IMPDH1 P20839 2/20 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
SCHEMBL24444064 0.87 POLB (0.44) ADH1AFHIT
SCHEMBL20691954 0.80 NT5E (0.51) NT5EFHIT
SCHEMBL24258564 0.79 IMPDH2 (0.46) IMPDH2NT5EADH1AFHITIMPDH1
SCHEMBL24444116 0.78 POLB (0.46) ADH1A
SCHEMBL22080505 0.77 NT5E (0.53) NT5EFHIT
SCHEMBL22080123 0.76 NT5E (0.51) NT5EFHIT
SCHEMBL22080564 0.76 NT5E (0.51) NT5EFHIT
SCHEMBL18822973 0.76 NT5E (0.51) NT5EFHIT
SCHEMBL22858409 0.76 IMPDH2 (0.53) IMPDH2ADH1AIMPDH1
SCHEMBL23476718 0.75 NT5E (0.55) NT5EFHIT

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-11339185-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 — — 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-11339185-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 IMPDH2 84/4885NT5E 102/4885ADH1A 3178/4885

“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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