SCHEMBL25400656

SCHEMBL25400656

COC(=O)C1(Cc2ccccc2)CC(COCc2ccccc2)=NO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.38
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL25399648 0.94 ADAM17 (0.41) ADAM17ALDH1A1
SCHEMBL25399531 0.91 EGLN1 (0.40) TACR1TACR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL25400660 0.90 NR4A2 (0.36) TACR1TACR3HSD17B10
SCHEMBL25402654 0.90 EGLN1 (0.41) ADAM17TSHRCYP2C9CYP2C19
SCHEMBL25401115 0.90 HCAR2 (0.38) ADAM17TACR1TACR3CYP2C9CYP2C19
SCHEMBL25398914 0.90 EGLN1 (0.39) TACR1ALDH1A1MAPT
SCHEMBL25401329 0.88 POLB (0.38) ADAM17TSHRALDH1A1MAPTALOX15
SCHEMBL25399422 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL25400368 0.87 ADAM17 (0.44) ADAM17ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL25061660 0.86 TACR1 (0.38) ADAM17TACR1TACR3TSHRALDH1A1

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 4639/4885TACR1 4151/4885TACR3 4210/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ADAM17 3074/4885TACR1 4707/4885TACR3 4588/4885

“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.