SCHEMBL25399007

SCHEMBL25399007

CCOC(=O)C1CC(C(CC(C)C)NC(=O)Cc2ccccc2)=NO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 4/20 0.52
▸ ITGA4 P13612 4/20 0.52
▸ PSMB8 P28062 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ABCC8 Q09428 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ ABCC3 O15438 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL25399003 1.00 ITGB1 (0.52) ITGB1ITGA4PSMB8PSMB5MEN1
SCHEMBL25401872 0.86 ITGB1 (0.40) ITGB1ITGA4PSMB5LMNAPOLB
SCHEMBL25401877 0.86 ITGB1 (0.40) ITGB1ITGA4PSMB5LMNAPOLB
SCHEMBL25398527 0.81 PSMB5 (0.59) ITGB1ITGA4PSMB8PSMB5
SCHEMBL25398516 0.81 PSMB5 (0.59) ITGB1ITGA4PSMB8PSMB5
SCHEMBL25400468 0.79 TP53 (0.51) MEN1KMT2ALMNAMAPK1POLB
SCHEMBL25400462 0.79 TP53 (0.51) MEN1KMT2ALMNAMAPK1POLB
SCHEMBL25399591 0.77 CCR1 (0.42) ITGB1ITGA4MEN1KMT2ACASP1
SCHEMBL25398711 0.76 KMT2A (0.46) MEN1KMT2ALMNACYP3A4POLB
SCHEMBL29846705 0.73 PSMB8 (0.50) ITGB1ITGA4PSMB8PSMB5MEN1

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 3 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

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 ITGB1 2685/4885ITGA4 4169/4885PSMB8 5/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ITGB1 3574/4885ITGA4 4754/4885PSMB8 28/4885

“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.

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