SCHEMBL22808555

SCHEMBL22808555

CC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6cccc(OCCCCCCCCCP(=O)(O)O)c6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.86

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
SCHEMBL20691909 0.99 NR3C1 (0.86) NR3C1
SCHEMBL19201625 0.93 NR3C1 (1.00) NR3C1
SCHEMBL22808554 0.93 NR3C1 (1.00) NR3C1
SCHEMBL19201315 0.92 NR3C1 (1.00) NR3C1
SCHEMBL13654483 0.87 NR3C1 (0.78) NR3C1
SCHEMBL19201310 0.87 NR3C1 (0.86) NR3C1
SCHEMBL19201615 0.86 NR3C1 (1.00) NR3C1
SCHEMBL19201614 0.86 NR3C1 (1.00) NR3C1
SCHEMBL19201305 0.86 NR3C1 (1.00) NR3C1
SCHEMBL19201302 0.84 NR3C1 (0.73) NR3C1

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-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-05-11 — — US disclosed
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-01-21 — — US disclosed
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME CORP. (US) 2020-12-22 — — 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-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, SLC46A1, SLC19A1 NR3C1 4524/4885
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, TK1, MSN NR3C1 4614/4885
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN NR3C1 4614/4885

“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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