SCHEMBL23206546

SCHEMBL23206546

COC[C@@H]1C[C@H](O)CN1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.35
▸ MGAM O43451 1/20 0.35
▸ PDK1 Q15118 3/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GBA1 P04062 1/20 0.33

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
SCHEMBL4740611 1.00 GAA (0.35) GAAMGAMPDK1PDK2PDK3
SCHEMBL18291771 1.00 GAA (0.35) GAAMGAMPDK1PDK2PDK3
SCHEMBL13634386 1.00 GAA (0.35) GAAMGAMPDK1PDK2PDK3
SCHEMBL25668004 1.00 GAA (0.35) GAAMGAMPDK1PDK2PDK3
SCHEMBL25551655 0.82 GAA (0.34) GAAMGAMTP53CYP3A4ALOX15
SCHEMBL23158050 0.82 GAA (0.34) GAAMGAMTP53CYP3A4ALOX15
SCHEMBL26059860 0.80 PDK1 (0.36) GAAMGAMPDK1TP53CYP3A4
SCHEMBL23178981 0.80 PDK1 (0.36) GAAMGAMPDK1TP53CYP3A4
SCHEMBL23640636 0.79 GAA (0.32) GAAMGAM
SCHEMBL22349101 0.79 ALDH1A1 (0.39) GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — US disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — US disclosed
WO-2023274383-A1 KRAS G12D INHIBITOR AND USE THEREOF 上海迪诺医药科技有限公司 2023-01-05 — — WO disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 — — 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS GAA 3195/4885MGAM 2037/4885PDK1 1186/4885

“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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