SCHEMBL21263982

SCHEMBL21263982

N#CCCOP(=S)(OC[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1CO)O[C@@H]1[C@H](F)[C@@H](CO)O[C@H]1n1cnc2c1ncn1ccnc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ P2RX3 P56373 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ TYMP P19971 1/20 0.32
▸ ADORA1 P30542 1/20 0.31
▸ SLC29A1 Q99808 3/20 0.31
▸ RNASEL Q05823 1/20 0.30

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
SCHEMBL21263983 0.87 TAS1R3 (0.36) TAS1R3TAS1R1P2RX3P2RX2TYMP
SCHEMBL22349173 0.84 TYMP (0.33) TYMPSLC29A1
SCHEMBL20692127 0.84 TYMP (0.33) TYMPSLC29A1
SCHEMBL20691327 0.79 SLC29A1 (0.31) SLC29A1
SCHEMBL20692221 0.79 P2RX3 (0.36) P2RX3TYMPADORA1RNASEL
SCHEMBL20691938 0.78 HIF1A (0.33) TYMPSLC29A1
SCHEMBL22349203 0.76 STING1 (0.38) P2RX3TYMP
SCHEMBL20691457 0.76 DNPH1 (0.32) SLC29A1
SCHEMBL20691298 0.76 AHCY (0.37) TYMPRNASEL
SCHEMBL20691336 0.73 RNASEL (0.42) P2RX3P2RX2RNASEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339185-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 — — US disclosed
EP-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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 (3 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-11339185-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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