SCHEMBL20691455

SCHEMBL20691455

COP(O)(=S)OC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.50
▸ ADA P00813 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ADCY1 Q08828 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ PI4K2A Q9BTU6 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ P2RY11 Q96G91 2/20 0.48
▸ ENPP1 P22413 2/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL20691945 1.00 BCHE (0.50) BCHEADAALDH1A1TP53CYP2C9
SCHEMBL19389373 0.90 ENPP1 (0.51) BCHEALDH1A1P2RY11ENPP1POLB
SCHEMBL22990586 0.90 BCHE (0.51) BCHEADAALDH1A1TP53CYP2C9
SCHEMBL6915658 0.90 BCHE (0.51) BCHEADAALDH1A1TP53CYP2C9
SCHEMBL20225033 0.90 BCHE (0.51) BCHEADAALDH1A1TP53CYP2C9
SCHEMBL22352146 0.88 P2RY1 (0.54) BCHEALDH1A1P2RY11POLBP2RY1
SCHEMBL20692157 0.88 P2RY1 (0.54) BCHEALDH1A1P2RY11POLBP2RY1
SCHEMBL24681039 0.88 BCHE (0.48) BCHEADAALDH1A1TP53CYP2C9
SCHEMBL1763090 0.87 POLB (0.55) ALDH1A1P2RY11ENPP1POLBP2RY1
SCHEMBL29763100 0.87 POLB (0.55) ALDH1A1P2RY11ENPP1POLBP2RY1

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 BCHE 3073/4885ADA 241/4885ALDH1A1 1444/4885
US-10744150-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 BCHE 3073/4885ADA 241/4885ALDH1A1 1444/4885

“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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