SCHEMBL20691457

SCHEMBL20691457

COC(=O)c1cccc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](OP(=S)(OCCC#N)OC[C@H]2C[C@@H](n3cnc4c(Cl)ncnc43)[C@@H]2CO)[C@H]1F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 3/20 0.32
▸ SLC29A1 Q99808 3/20 0.31

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
SCHEMBL20691327 0.96 SLC29A1 (0.31) DNPH1SLC29A1
SCHEMBL24680698 0.95 DNPH1 (0.33) DNPH1SLC29A1
SCHEMBL20691314 0.87 P2RY12 (0.36) DNPH1
SCHEMBL20692012 0.85 DNPH1 (0.32) DNPH1
SCHEMBL20692127 0.82 TYMP (0.33) DNPH1SLC29A1
SCHEMBL22349173 0.82 TYMP (0.33) DNPH1SLC29A1
SCHEMBL25688857 0.80 P2RY12 (0.38) DNPH1
SCHEMBL20691946 0.79 P2RY12 (0.34) DNPH1
SCHEMBL25688845 0.79 P2RY12 (0.36) DNPH1
SCHEMBL25693011 0.77 P2RY12 (0.34) DNPH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744150-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20190030057-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-01-31 — — 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 (2 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-20190030057-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 DNPH1 2001/4885SLC29A1 537/4885
US-10744150-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 DNPH1 2001/4885SLC29A1 537/4885

“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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