SCHEMBL24635649

SCHEMBL24635649

CO[C@H]1C(O)C[C@H](OC2C(NC(C)=O)[C@H](C)OC(CO)[C@H]2O)OC1C(=O)NCc1ccc(-c2nnc(C)nn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.38
▸ LGALS7; LGALS7B P47929 3/20 0.38
▸ LGALS9 O00182 3/20 0.38
▸ LGALS1 P09382 1/20 0.34
▸ STAT3 P40763 4/20 0.32
▸ POLB P06746 1/20 0.32
▸ CD69 Q07108 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL25970258 0.80 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL24635181 0.79 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL25963114 0.73 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL25970268 0.73 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL24478860 0.73 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL23322296 0.72 LGALS3 (0.37) LGALS3LGALS7; LGALS7BLGALS9LGALS1CA1
SCHEMBL24478872 0.72 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1POLB
SCHEMBL23280950 0.71 LGALS8 (0.48) LGALS3LGALS7; LGALS7BLGALS9LGALS1
SCHEMBL23603141 0.69 MAPK1 (0.52) LGALS3LGALS7; LGALS7BLGALS1POLBCD69
SCHEMBL21077729 0.69 MAPK1 (0.52) LGALS3LGALS7; LGALS7BLGALS1POLBCD69

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-20220259254-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TAMBO, INC. 2022-08-18 — — 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-20220259254-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TIE1, CD74, MERTK LGALS3 350/4885LGALS7; LGALS7B 336/4885LGALS9 551/4885

“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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