SCHEMBL25963088

SCHEMBL25963088

CC(=O)NC1[C@@H](O[C@@H]2CC(C(C)=O)[C@@H](OC(C)C)[C@H](O)C2O)[C@H](O)C(CO)O[C@H]1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CD69 Q07108 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LGALS3 P17931 3/20 0.33
▸ LGALS8 O00214 1/20 0.33
▸ LGALS4 P56470 1/20 0.33
▸ MAG P20916 2/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ MMP12 P39900 1/20 0.30

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
SCHEMBL25964076 0.82 MAPK1 (0.41) MAPK1ALDH1A1THRBCD69NOD2
SCHEMBL14089003 0.82 ALDH1A1 (0.48) MAPK1ALDH1A1THRBCD69NOD2
SCHEMBL25963112 0.81 MAPK1 (0.47) MAPK1ALDH1A1THRBCD69NOD2
SCHEMBL13994673 0.77 MAPK1 (0.41) MAPK1ALDH1A1THRBCD69LGALS3
SCHEMBL21743003 0.74 MAPK1 (0.39) MAPK1ALDH1A1THRBCD69NOD2
SCHEMBL20841310 0.72 MAPK1 (0.48) MAPK1ALDH1A1THRBCD69NOD2
SCHEMBL21146727 0.72 LGALS3 (0.56) MAPK1ALDH1A1THRBCD69LGALS3
SCHEMBL791244 0.72 MAPK1 (0.79) MAPK1ALDH1A1THRBCD69NOD2
SCHEMBL13994672 0.71 MAPK1 (0.40) MAPK1ALDH1A1THRBCD69NOD2
SCHEMBL13246090 0.71 MAPK1 (0.47) MAPK1ALDH1A1THRBCD69NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy TAMBO, INC. 2023-08-17 — — 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 (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-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy ICOS, CD74, PBK MAPK1 3636/4885ALDH1A1 3456/4885THRB 1497/4885

“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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