SCHEMBL19201592

SCHEMBL19201592

CCC(=O)O[C@]1(C(=O)SCCOCCOCCP(=O)(O)O)[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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 17/20 1.00
▸ PGR P06401 4/20 0.75
▸ AR P10275 4/20 0.75
▸ ADORA3 P0DMS8 2/20 0.75
▸ NR3C2 P08235 2/20 0.75
▸ CYP3A4 P08684 2/20 0.75
▸ NR1I2 O75469 1/20 0.75
▸ CHRM1 P11229 1/20 0.66
▸ ADRA1A P35348 1/20 0.66
▸ CNR1 P21554 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ HIF1A Q16665 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP1A2 P05177 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
SCHEMBL19201574 0.93 NR3C1 (1.00) NR3C1PGRARADORA3NR3C2
SCHEMBL19201610 0.92 NR3C1 (1.00) NR3C1PGRARADORA3NR3C2
SCHEMBL19201589 0.91 NR3C1 (1.00) NR3C1PGRARADORA3NR3C2
SCHEMBL19201306 0.91 NR3C1 (1.00) NR3C1PGRARADORA3NR3C2
SCHEMBL26964859 0.91 NR3C1 (1.00) NR3C1PGRARADORA3NR3C2
SCHEMBL19201588 0.91 NR3C1 (1.00) NR3C1PGRARADORA3NR3C2
SCHEMBL19201570 0.88 NR3C1 (1.00) NR3C1PGRARADORA3NR3C2
SCHEMBL13950976 0.88 NR3C1 (0.86) NR3C1PGRARADORA3NR3C2
SCHEMBL14421353 0.88 NR3C1 (0.86) NR3C1PGRARADORA3NR3C2
SCHEMBL13951204 0.88 NR3C1 (0.88) NR3C1PGRARADORA3NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-01-31 — — US disclosed
WO-2017132103-A2 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-03 — — 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 (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-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, PHPT1, PSPH NR3C1 4471/4885PGR 2322/4885AR 3146/4885
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, TK1, MSN NR3C1 4614/4885PGR 2980/4885AR 3602/4885
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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