SCHEMBL25401482

SCHEMBL25401482

COC(=O)C1(Cc2ccccc2)CC(CNC(=O)c2coc(C)n2)=NO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HPGD P15428 4/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL29846493 0.90 KLKB1 (0.40) KLKB1CYP2C19CYP1A2CYP2D6NPC1
SCHEMBL25400794 0.86 CYP1A2 (0.57) CYP2C19CYP1A2CYP2D6NPC1RAB9A
SCHEMBL29846542 0.86 HPGD (0.40) CYP2C19CYP1A2CYP2D6HPGDKMT2A
SCHEMBL25400448 0.86 HPGD (0.40) CYP2C19CYP1A2CYP2D6HPGDKMT2A
SCHEMBL25399253 0.84 HIF1A (0.50) KLKB1CYP2C19CYP1A2CYP2D6NPC1
SCHEMBL25397863 0.84 CHRM1 (0.41) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL25400405 0.84 ALDH1A1 (0.48) CYP2C19CYP1A2CYP2D6NPC1RAB9A
SCHEMBL29846663 0.84 ALDH1A1 (0.48) CYP2C19CYP1A2CYP2D6NPC1RAB9A
SCHEMBL25401432 0.84 GSK3B (0.36) CYP2C19CYP1A2CYP2D6HPGDKMT2A
SCHEMBL25401448 0.83 HPGD (0.39) CYP2C19CYP1A2CYP2D6HPGDKMT2A

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 KLKB1 3991/4885CYP2C19 2008/4885CYP1A2 1381/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 KLKB1 2437/4885CYP2C19 2880/4885CYP1A2 2451/4885

“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