SCHEMBL22589436

SCHEMBL22589436

CCCCCCCCOP1(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.61
▸ TK2 O00142 4/20 0.48
▸ TK1 P04183 4/20 0.46
▸ BCHE P06276 1/20 0.43

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
SCHEMBL21178588 0.90 DHFR (0.48) DHFRTK2TK1
SCHEMBL21179129 0.90 DHFR (0.48) DHFRTK2TK1
SCHEMBL22801261 0.90 DHFR (0.48) DHFRTK2TK1
SCHEMBL22801208 0.90 DHFR (0.48) DHFRTK2TK1
SCHEMBL21178036 0.89 DHFR (0.48) DHFRTK2TK1
SCHEMBL24625602 0.83 DHFR (0.41) DHFRTK2TK1BCHE
SCHEMBL20180458 0.82 DHFR (0.58) DHFRTK2TK1BCHE
SCHEMBL20180392 0.82 DHFR (0.58) DHFRTK2TK1BCHE
SCHEMBL23621017 0.82 DHFR (0.58) DHFRTK2TK1BCHE
SCHEMBL20180532 0.82 DHFR (0.58) DHFRTK2TK1BCHE

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
US-20220220145-A1 CYCLIC PHOSPHATE COMPOUNDS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-07-14 — — US disclosed
US-20220220145-A1 CYCLIC PHOSPHATE COMPOUNDS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-07-14 — — US disclosed
EP-3966221-A1 CYCLIC PHOSPHATE COMPOUNDS Ligand Pharmaceuticals Incorporated (US) 2022-03-16 — — EP disclosed
CN-113939526-A Cyclic phosphate ester compound 配体药物公司 2022-01-14 — — CN disclosed
WO-2020219464-A1 CYCLIC PHOSPHATE COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2020-10-29 — — WO disclosed
WO-2020219464-A1 CYCLIC PHOSPHATE COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2020-10-29 — — 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 (1 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-20220220145-A1 CYCLIC PHOSPHATE COMPOUNDS PYGL, ALPP, PHPT1 DHFR 3080/4885TK2 177/4885TK1 338/4885

“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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