SCHEMBL21332726

SCHEMBL21332726

O=C(O)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](F)[C@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.46
▸ TACR2 P21452 3/20 0.44
▸ SSTR4 P31391 1/20 0.42
▸ PTPN1 P18031 7/20 0.42
▸ CDC25B P30305 6/20 0.42
▸ PTPN2 P17706 4/20 0.42
▸ PTPN11 Q06124 4/20 0.42
▸ PTPN6 P29350 3/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ MTOR P42345 1/20 0.40

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
SCHEMBL30712002 0.90 NT5E (0.48) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL8723296 0.87 NT5E (0.53) NT5ETACR2SSTR4PTPN1CDC25B
SCHEMBL7353598 0.82 TSHR (0.45) NT5ETACR2
SCHEMBL7353615 0.82 TSHR (0.45) NT5ETACR2
SCHEMBL7353601 0.82 TSHR (0.45) NT5ETACR2
SCHEMBL7353619 0.82 TSHR (0.45) NT5ETACR2
SCHEMBL20870545 0.82 HTR1A (0.43) NT5ETACR2SSTR4PTPN1CDC25B
SCHEMBL19736552 0.82 HTR1A (0.43) NT5ETACR2SSTR4PTPN1CDC25B
SCHEMBL14278490 0.82 HTR1A (0.43) NT5ETACR2SSTR4PTPN1CDC25B
SCHEMBL22288949 0.78 TACR2 (0.52) NT5ETACR2SSTR4PTPN1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762397-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2024-05-01 — — EP disclosed
US-11945834-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-02 — — US disclosed
CN-111801341-B Cyclic dinucleotides as anticancer agents 百时美施贵宝公司 2023-10-24 — — CN disclosed
EP-3762397-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS Bristol-Myers Squibb Company (US) 2021-01-13 — — EP disclosed
US-20210002323-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2021-01-07 — — US disclosed
WO-2019173587-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-12 — — WO 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-11945834-B2 Cyclic dinucleotides as anticancer agents DPYD, CD38, NTPCR NT5E 83/4885TACR2 4721/4885SSTR4 4767/4885
US-20210002323-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, CD38, NTPCR NT5E 83/4885TACR2 4721/4885SSTR4 4767/4885

“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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