SCHEMBL25401794

SCHEMBL25401794

COc1ccc(C(=O)NCC2=NOC(Cc3ccccc3)(C(=O)N[C@@H](Cc3ccccc3)B(O)O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CTRB1 P17538 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ MAOA P21397 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CXCR3 P49682 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PSMB5 P28074 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PSMB8 P28062 1/20 0.39

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
SCHEMBL25401801 1.00 NPC1 (0.44) NPC1RAB9ACTRB1PPARGMAOA
SCHEMBL25400056 0.92 MMP13 (0.44) RAB9ACTRB1GAAALDH1A1SMN1; SMN2
SCHEMBL25399015 0.92 NPC1 (0.43) NPC1RAB9AMAOAKMT2AGAA
SCHEMBL25399012 0.92 NPC1 (0.43) NPC1RAB9AMAOAKMT2AGAA
SCHEMBL25400059 0.92 MMP13 (0.44) RAB9ACTRB1GAAALDH1A1SMN1; SMN2
SCHEMBL25398363 0.91 CTRB1 (0.52) CTRB1PSMB5PSMB8
SCHEMBL25398364 0.91 CTRB1 (0.52) CTRB1PSMB5PSMB8
SCHEMBL25398233 0.86 PSMB5 (0.40) CTRB1PSMB5PSMB8
SCHEMBL25398231 0.86 PSMB5 (0.40) CTRB1PSMB5PSMB8
SCHEMBL25403137 0.85 CTRB1 (0.41) CTRB1PPARGEPHX2PSMB5

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 3 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

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 NPC1 208/4885RAB9A 715/4885CTRB1 163/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 NPC1 180/4885RAB9A 931/4885CTRB1 360/4885

“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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