SCHEMBL25399782

SCHEMBL25399782

CCOC(=O)C1CC(COCc2ccccc2)=NO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ITGB3 P05106 3/20 0.39
▸ ITGAV P06756 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ITGA2B P08514 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 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
SCHEMBL24517975 0.86 TSHR (0.43) SIGMAR1TSHRLMNAL3MBTL1PKM
SCHEMBL25395918 0.85 MEN1 (0.43) SIGMAR1TSHRITGB3ITGAVLMNA
SCHEMBL25398711 0.80 KMT2A (0.46) TSHRLMNAL3MBTL1NPSR1RAB9A
SCHEMBL12461232 0.77 CYP4F2 (0.37) TSHRCA1CA2CYP4F2CYP4A11
SCHEMBL25402422 0.76 MEN1 (0.46) TSHRLMNARAB9AALDH1A1
SCHEMBL24518312 0.76 CA1 (0.58) TSHRCA1CA2LMNAL3MBTL1
SCHEMBL24518323 0.75 CYP4F2 (0.40) RAB9ACYP4F2CYP4A11
SCHEMBL29846626 0.75 IDO1 (0.41) ITGB3ITGAVMAPT
SCHEMBL12461336 0.74 CYP4F2 (0.36) TSHRCA1CA2CYP4F2CYP4A11
SCHEMBL24517882 0.73 MIF (0.56) TSHRCA1CA2LMNAL3MBTL1

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 SIGMAR1 1268/4885TSHR 1670/4885CA1 477/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 SIGMAR1 3799/4885TSHR 4034/4885CA1 1530/4885

“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