SCHEMBL23200203

SCHEMBL23200203

CC(C)(C)OC(=O)N(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C[C@@H]1CCC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.38
▸ KCNA5 P22460 4/20 0.36
▸ F2 P00734 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ LPL P06858 5/20 0.34
▸ LIPG Q9Y5X9 5/20 0.34

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
SCHEMBL29983594 0.85 PRMT5 (0.38) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL27080846 0.81 CD274 (0.36) —
SCHEMBL29983196 0.78 PRMT5 (0.35) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL29983954 0.78 CD274 (0.38) —
SCHEMBL27080840 0.77 PDCD1 (0.44) —
SCHEMBL29984176 0.77 PRMT5 (0.38) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL24722595 0.76 DDB1 (0.33) USP30
SCHEMBL22675491 0.76 MEN1 (0.37) KCNA5
SCHEMBL23027967 0.75 AAK1 (0.41) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL4564357 0.75 AAK1 (0.43) AAK1PRMT5WDR77BACE1BACE2

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 2 patents. 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
WO-2021063404-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-04-08 — — WO 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 AAK1 1484/4885PRMT5 1499/4885WDR77 3794/4885

“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.

Send feedback