SCHEMBL20679000

SCHEMBL20679000

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCCCCP(=O)(O)OP(=O)(O)CCCCCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)SCF

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 17/20 0.91
▸ PGR P06401 4/20 0.76
▸ AR P10275 4/20 0.76
▸ NR3C2 P08235 2/20 0.76
▸ ADORA3 P0DMS8 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ NR1I2 O75469 1/20 0.76
▸ CNR1 P21554 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ MEN1 O00255 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HIF1A Q16665 1/20 0.56

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
SCHEMBL20678982 0.95 NR3C1 (1.00) NR3C1PGRARNR3C2ADORA3
SCHEMBL19201300 0.95 NR3C1 (1.00) NR3C1PGRARNR3C2ADORA3
SCHEMBL20691831 0.95 NR3C1 (1.00) NR3C1PGRARNR3C2ADORA3
SCHEMBL19201301 0.91 NR3C1 (0.85) NR3C1PGRARNR3C2ADORA3
SCHEMBL22911417 0.90 NR3C1 (0.90) NR3C1PGRARNR3C2ADORA3
SCHEMBL20679014 0.89 NR3C1 (0.91) NR3C1PGRARNR3C2ADORA3
SCHEMBL19201297 0.89 NR3C1 (0.81) NR3C1PGRARNR3C2ADORA3
SCHEMBL30972252 0.88 NR3C1 (0.86) NR3C1PGRARNR3C2ADORA3
SCHEMBL11233669 0.88 NR3C1 (0.88) NR3C1PGRARNR3C2ADORA3
SCHEMBL13393084 0.87 NR3C1 (0.79) NR3C1PGRARNR3C2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11883500-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME LLC (US) 2024-01-30 — — US disclosed
EP-3407916-B1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-12-20 — — EP disclosed
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-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME CORP. (US) 2020-12-22 — — US disclosed
US-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-01-31 — — 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 (4 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 4524/4885PGR 2847/4885AR 3290/4885
US-11883500-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN NR3C1 4614/4885PGR 2980/4885AR 3602/4885
US-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, PHPT1, PSPH NR3C1 4471/4885PGR 2322/4885AR 3146/4885
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN NR3C1 4614/4885PGR 2980/4885AR 3602/4885

“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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