SCHEMBL25970258

SCHEMBL25970258

COC1C(O)C(OC2C(O)C(CO)OC(C(C)(C)C)C2NC(C)=O)OC(C(=O)NCc2ccc(-c3nnc(C)nn3)cc2)C1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 8/20 0.42
▸ LGALS7; LGALS7B P47929 4/20 0.42
▸ LGALS9 O00182 4/20 0.42
▸ LGALS1 P09382 2/20 0.39
▸ POLB P06746 1/20 0.33
▸ LGALS8 O00214 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ CHIA Q9BZP6 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
SCHEMBL24635181 0.95 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL25970268 0.89 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL25963114 0.89 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL24478860 0.89 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL24478872 0.87 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL24478861 0.82 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1LGALS8
SCHEMBL24635649 0.80 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL23322296 0.78 LGALS3 (0.37) LGALS3LGALS7; LGALS7BLGALS9LGALS1CA12
SCHEMBL23280950 0.73 LGALS8 (0.48) LGALS3LGALS7; LGALS7BLGALS9LGALS1LGALS8
SCHEMBL23322857 0.73 LMNA (0.34) CA12CA1CA2CA9CA14

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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