SCHEMBL24759057

SCHEMBL24759057

COc1cc(C(=O)Nc2cccc(-c3cccc(-c4cnc(CC5CC(C)(O)C5)c(OC)n4)c3Cl)c2Cl)nc2c1CCN(CCO)C2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.51
▸ CD274 Q9NZQ7 20/20 0.51

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
SCHEMBL24758607 0.95 PDCD1 (0.47) PDCD1CD274
SCHEMBL23198658 0.90 PDCD1 (0.60) PDCD1CD274
SCHEMBL23198452 0.87 PDCD1 (0.61) PDCD1CD274
SCHEMBL23198584 0.87 PDCD1 (0.58) PDCD1CD274
SCHEMBL23198473 0.87 PDCD1 (0.58) PDCD1CD274
SCHEMBL23198456 0.87 PDCD1 (0.57) PDCD1CD274
SCHEMBL23198554 0.86 PDCD1 (0.59) PDCD1CD274
SCHEMBL24722348 0.86 PDCD1 (0.54) PDCD1CD274
SCHEMBL23198454 0.86 PDCD1 (0.56) PDCD1CD274
SCHEMBL23198451 0.85 PDCD1 (0.64) 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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