SCHEMBL25399648

SCHEMBL25399648

COC(=O)C1(Cc2ccccc2)CC(COCc2ccc(OC)cc2)=NO1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM3 P20309 2/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
GRIN2B Q13224 1/20 0.38
KDM1A O60341 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL25400656 0.94 ADAM17 (0.38) ADAM17ALDH1A1
SCHEMBL25398297 0.92 KDM4E (0.41) NPC1RAB9AKDM4EALDH1A1CHRM3
SCHEMBL25402654 0.90 EGLN1 (0.41) ADAM17NPC1RAB9ACHRM3GRIN2B
SCHEMBL25401089 0.90 GRIN2B (0.43) NPC1RAB9AKDM4EALDH1A1GRIN2B
SCHEMBL29845947 0.86 GRIN2B (0.42) ALDH1A1GRIN2BEGLN1
SCHEMBL25397996 0.86 GRIN2B (0.42) ALDH1A1GRIN2BEGLN1
SCHEMBL25399531 0.85 EGLN1 (0.40) ALDH1A1CHRM3GRIN2BTDP1L3MBTL1
SCHEMBL25400660 0.84 NR4A2 (0.36) MMP2GRIN2B
SCHEMBL25398914 0.84 EGLN1 (0.39) ALDH1A1GRIN2BEGLN1
SCHEMBL25401115 0.84 HCAR2 (0.38) ADAM17CHRM3

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 ADAM17 4639/4885NPC1 208/4885RAB9A 715/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ADAM17 3074/4885NPC1 180/4885RAB9A 931/4885

“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.