SCHEMBL21263953

SCHEMBL21263953

COP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)[C@H](F)[C@@H]1OP(=O)(S)OC[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ P2RX3 P56373 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ NT5E P21589 2/20 0.34
▸ ADORA1 P30542 2/20 0.33
▸ RNASEL Q05823 1/20 0.32
▸ FHIT P49789 4/20 0.32
▸ TYMP P19971 1/20 0.31
▸ DNPH1 O43598 1/20 0.31
▸ PRKAB2 O43741 1/20 0.31
▸ TRPM2 O94759 1/20 0.31
▸ LDHA P00338 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ FBP1 P09467 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ P2RY2 P41231 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 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
SCHEMBL24258560 0.92 NT5E (0.43) TAS1R3TAS1R1P2RX3P2RX2NT5E
SCHEMBL20691346 0.85 NT5E (0.49) TAS1R3TAS1R1P2RX3P2RX2NT5E
SCHEMBL20691370 0.80 RNASEL (0.54) P2RX3P2RX2NT5ERNASELSRC
SCHEMBL24680655 0.78 NT5E (0.40) TAS1R3TAS1R1NT5EADORA1RNASEL
SCHEMBL24258669 0.74 TAS1R3 (0.42) TAS1R3TAS1R1P2RX3P2RX2NT5E
SCHEMBL20691954 0.74 NT5E (0.51) TAS1R3TAS1R1P2RX3P2RX2NT5E
SCHEMBL20692152 0.74 RNASEL (0.57) P2RX3P2RX2NT5ERNASELSRC
SCHEMBL24258653 0.73 NT5E (0.37) TAS1R3TAS1R1NT5EADORA1RNASEL
SCHEMBL22080564 0.73 NT5E (0.51) TAS1R3TAS1R1P2RX3P2RX2NT5E
SCHEMBL22080123 0.73 NT5E (0.51) TAS1R3TAS1R1P2RX3P2RX2NT5E

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-10519187-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2019-12-31 — — US disclosed
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-08-15 — — 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-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 TAS1R3 4686/4885TAS1R1 4753/4885P2RX3 1547/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 TAS1R3 4686/4885TAS1R1 4753/4885P2RX3 1547/4885

“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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