SCHEMBL25399858

SCHEMBL25399858

CC(C)C[C@H](NC(=O)C1CC(CNC(=O)c2ccc3ccccc3c2)=NO1)B(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 3/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ PSMB5 P28074 4/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ CTSK P43235 4/20 0.41
▸ PSMB8 P28062 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38

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
SCHEMBL25399866 1.00 CASP1 (0.43) CASP1CASP3PSMB5PSMB1PSMB2
SCHEMBL25400906 0.89 PSMB5 (0.46) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL25400915 0.89 PSMB5 (0.46) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL25400308 0.86 LMNA (0.41) PSMB5PSMB8NPC1TSHRRAB9A
SCHEMBL25400303 0.86 LMNA (0.41) PSMB5PSMB8NPC1TSHRRAB9A
SCHEMBL25399426 0.85 EPHX2 (0.38) PSMB5PSMB1PSMB2CTSKPSMB8
SCHEMBL25399435 0.85 EPHX2 (0.38) PSMB5PSMB1PSMB2CTSKPSMB8
SCHEMBL25399817 0.84 CASP1 (0.43) CASP1CASP3PSMB5PSMB1PSMB2
SCHEMBL25399824 0.84 CASP1 (0.43) CASP1CASP3PSMB5PSMB1PSMB2
SCHEMBL25397204 0.84 PSMB5 (0.47) CASP1CASP3PSMB5PSMB1PSMB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 — — US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 — — US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 — — EP disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — 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 (2 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 CASP1 1367/4885CASP3 2821/4885PSMB5 10/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 CASP1 349/4885CASP3 1789/4885PSMB5 7/4885

“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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