SCHEMBL22220014

SCHEMBL22220014

COP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(S)OC[C@@H]1CC[C@H](n2nnc3c([N+](=O)[O-])cccc32)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.40
▸ P2RY1 P47900 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.37
▸ DNPH1 O43598 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ TRPM2 O94759 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL22219796 0.95 POLB (0.42) ENPP1P2RY1POLBP2RY12DNPH1
SCHEMBL22219803 0.94 POLB (0.42) ENPP1P2RY1BCHEPOLBP2RY12
SCHEMBL22219993 0.88 DNPH1 (0.40) P2RY1DNPH1
SCHEMBL21299334 0.84 POLB (0.50) ENPP1P2RY1BCHEPOLBDNPH1
SCHEMBL22220033 0.84 POLB (0.42) ENPP1P2RY1BCHEPOLBP2RY12
SCHEMBL22219987 0.84 POLB (0.43) ENPP1P2RY1POLB
SCHEMBL22220040 0.81 POLB (0.40) ENPP1P2RY1BCHEPOLBP2RY12
SCHEMBL22219988 0.81 POLB (0.40) ENPP1P2RY1BCHEPOLB
SCHEMBL22220015 0.80 RNASEL (0.47) P2RY1POLBDNPH1PRKAB2TRPM2
SCHEMBL25967106 0.78 POLB (0.53) ENPP1P2RY1POLBDNPH1PRKAB2

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-10947263-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-16 — — US disclosed
US-20200223883-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2020-07-16 — — 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-10947263-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 ENPP1 44/4885P2RY1 725/4885BCHE 3192/4885
US-20200223883-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 ENPP1 44/4885P2RY1 725/4885BCHE 3192/4885

“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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