SCHEMBL25401421

SCHEMBL25401421

CC(C)C[C@H](NC(=O)C1(C(O)c2ccccc2)CC(CNC(=O)c2nccc3ccccc23)=NO1)B(O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
RAB9A P51151 1/20 0.38
PSMB5 P28074 14/20 0.38
PSMB1 P20618 7/20 0.38
PSMB2 P49721 5/20 0.38
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
PSMB8 P28062 1/20 0.34
CLPP Q16740 2/20 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
SCHEMBL25401424 1.00 CCR1 (0.40) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25399201 0.94 CCR1 (0.40) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25399205 0.94 CCR1 (0.40) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25397625 0.92 CCR1 (0.39) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25397627 0.92 CCR1 (0.39) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25400634 0.85 CCR1 (0.40) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25400627 0.85 CCR1 (0.40) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25398882 0.85 CCR1 (0.43) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25398886 0.85 CCR1 (0.43) CCR1RAB9APSMB5PSMB1PSMB2
SCHEMBL25398696 0.83 CCR1 (0.41) CCR1RAB9APSMB5PSMB1PSMB2

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 CCR1 297/4885RAB9A 715/4885PSMB5 10/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 CCR1 2541/4885RAB9A 931/4885PSMB5 7/4885

“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.