SCHEMBL20691370

SCHEMBL20691370

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 8/20 0.54
▸ NT5E P21589 1/20 0.50
▸ P2RY1 P47900 2/20 0.49
▸ SRC P12931 1/20 0.49
▸ P2RY2 P41231 1/20 0.49
▸ P2RX1 P51575 1/20 0.49
▸ P2RX3 P56373 1/20 0.49
▸ P2RX4 Q99571 1/20 0.49
▸ P2RX2 Q9UBL9 1/20 0.49

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
SCHEMBL20692152 0.94 RNASEL (0.57) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL20691346 0.94 NT5E (0.49) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL24258560 0.88 NT5E (0.43) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL24679777 0.83 RNASEL (0.57) RNASELNT5EP2RY1
SCHEMBL20691954 0.83 NT5E (0.51) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL24680655 0.83 NT5E (0.40) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL26201920 0.82 RNASEL (0.63) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL22080505 0.82 NT5E (0.53) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL22080123 0.82 NT5E (0.51) NT5EP2RY1SRCP2RY2P2RX1
SCHEMBL22080502 0.82 RNASEL (0.57) RNASELNT5EP2RY1SRCP2RY2

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 RNASEL 662/4885NT5E 102/4885P2RY1 1124/4885
US-10744150-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 RNASEL 662/4885NT5E 102/4885P2RY1 1124/4885

“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.

Send feedback