SCHEMBL25401115

SCHEMBL25401115

COC(=O)C1(Cc2ccccc2)CC(COCc2cccc(Br)c2)=NO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
GLA P06280 1/20 0.38
CHRM3 P20309 1/20 0.37
ESR1 P03372 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAOB P27338 6/20 0.35
MAOA P21397 3/20 0.35
CYP2C19 P33261 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADAM17 P78536 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL25399531 0.90 EGLN1 (0.40) CHRM3ARTHRATHRBMAOB
SCHEMBL25400656 0.90 ADAM17 (0.38) CYP2C19ADAM17CYP2C9TACR1TACR3
SCHEMBL25400660 0.89 NR4A2 (0.36) THRBCYP3A4FFAR1FFAR4TACR1
SCHEMBL25402654 0.88 EGLN1 (0.41) CHRM3NR3C2CYP2C19CYP1A2CYP3A4
SCHEMBL25398914 0.88 EGLN1 (0.39) HCAR2THRATHRBMAOBMAOA
SCHEMBL25399611 0.86 FFAR1 (0.39) MAOBFFAR1FFAR4
SCHEMBL29845947 0.85 GRIN2B (0.42) HCAR2CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL25397996 0.85 GRIN2B (0.42) HCAR2CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL25398845 0.84 MAPK1 (0.35) CYP2C19CYP1A2CYP3A4CYP2D6ADAM17
SCHEMBL25399395 0.84 ALDH1A1 (0.33) ADAM17TACR1TACR3

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 HCAR2 2042/4885GLA 1046/4885CHRM3 176/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 HCAR2 3244/4885GLA 1624/4885CHRM3 4826/4885

“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.