SCHEMBL24758520

SCHEMBL24758520

CCOC(=O)CN1CCc2c(C)cc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5ccc(CN(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)cn5)c4C)c3Cl)nc2C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.44
▸ CD274 Q9NZQ7 20/20 0.44

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
SCHEMBL23202407 0.93 PDCD1 (0.41) PDCD1CD274
SCHEMBL24758899 0.93 PDCD1 (0.41) PDCD1CD274
SCHEMBL23198441 0.90 PDCD1 (0.37) PDCD1CD274
SCHEMBL24722522 0.89 PDCD1 (0.37) PDCD1CD274
SCHEMBL23202460 0.87 PDCD1 (0.40) PDCD1CD274
SCHEMBL23202603 0.87 PDCD1 (0.37) PDCD1CD274
SCHEMBL23200090 0.86 PDCD1 (0.39) PDCD1CD274
SCHEMBL23198779 0.86 PDCD1 (0.39) PDCD1CD274
SCHEMBL23198778 0.86 PDCD1 (0.41) PDCD1CD274
SCHEMBL23201497 0.86 PDCD1 (0.36) PDCD1CD274

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-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-12-22 — — 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-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885

“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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