SCHEMBL25970268

SCHEMBL25970268

CC(=O)NC1C(O[C@@H]2OC(C(=O)NCc3ccc(-c4nnc(C)nn4)cc3)[C@@H](OC(C)C)C(O)C2O)[C@H](O)C(CO)O[C@H]1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 7/20 0.38
▸ LGALS7; LGALS7B P47929 3/20 0.38
▸ LGALS9 O00182 3/20 0.38
▸ LGALS1 P09382 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LGALS8 O00214 1/20 0.32
▸ LGALS4 P56470 1/20 0.32
▸ MMP12 P39900 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL25963114 1.00 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1MAPK1
SCHEMBL24478860 1.00 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1MAPK1
SCHEMBL24478861 0.94 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1MAPK1
SCHEMBL24635181 0.92 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS9LGALS1CA1
SCHEMBL25970258 0.89 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS9LGALS1CA1
SCHEMBL23322296 0.83 LGALS3 (0.37) LGALS3LGALS7; LGALS7BLGALS9LGALS1CA1
SCHEMBL24478872 0.81 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1CA1
SCHEMBL25963112 0.80 MAPK1 (0.47) LGALS3LGALS7; LGALS7BLGALS9LGALS1MAPK1
SCHEMBL23322858 0.78 SPHK1 (0.31) POLB
SCHEMBL25963101 0.78 SPHK1 (0.31) POLB

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 LGALS3 160/4885LGALS7; LGALS7B 176/4885LGALS9 248/4885

“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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