SCHEMBL21263857

SCHEMBL21263857

O=C(OC[C@H]1O[C@@H](n2cnc3c(=O)n4ccn(CCc5ccc([N+](=O)[O-])cc5)c4nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ SLC29A1 Q99808 8/20 0.40
▸ NT5E P21589 1/20 0.39
▸ PNP P00491 1/20 0.37
▸ P2RY11 Q96G91 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL29471805 0.82 LMNA (0.51) LMNASLC29A1NT5ERAB9ACYP3A4
SCHEMBL21263936 0.77 LMNA (0.48) LMNANT5EPNPP2RY11
SCHEMBL21263864 0.77 SLC29A1 (0.56) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL25688724 0.76 SLC29A1 (0.49) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL25688725 0.74 SLC29A1 (0.39) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL21264012 0.74 SLC29A1 (0.46) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL21263975 0.72 LMNA (0.51) LMNANT5EPNPP2RY11
SCHEMBL24258630 0.71 CYP1A2 (0.46) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL24258662 0.71 SLC29A1 (0.40) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL24444132 0.71 CYP1A2 (0.46) LMNASLC29A1RAB9ACYP3A4PKM

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 3 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
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 LMNA 1855/4885SLC29A1 537/4885NT5E 102/4885
US-11339185-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 LMNA 1855/4885SLC29A1 537/4885NT5E 102/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 LMNA 1855/4885SLC29A1 537/4885NT5E 102/4885

“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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