SCHEMBL25964076

SCHEMBL25964076

COC1C(C(=O)O)CC(OC2C(O)C(CO)OC(C(C)(C)C)C2NC(C)=O)C(O)C1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ CD69 Q07108 1/20 0.37
▸ LGALS3 P17931 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ LGALS8 O00214 3/20 0.35
▸ LGALS4 P56470 1/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ LGALS7; LGALS7B P47929 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ LGALS9 O00182 1/20 0.33
▸ PYGB P11216 1/20 0.32

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
SCHEMBL21743003 0.91 MAPK1 (0.39) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL14113910 0.88 LGALS3 (0.43) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL16016954 0.83 CD69 (0.43) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL25963088 0.82 MAPK1 (0.44) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL13994673 0.81 MAPK1 (0.41) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL23322444 0.80 LGALS3 (0.43) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL18608226 0.80 LGALS3 (0.43) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL18608138 0.80 LGALS3 (0.43) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL25024613 0.79 MAPK1 (0.37) MAPK1CD69LGALS3ALDH1A1THRB
SCHEMBL14089003 0.77 ALDH1A1 (0.48) MAPK1CD69LGALS3ALDH1A1THRB

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 3636/4885CD69 524/4885LGALS3 160/4885

“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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