SCHEMBL25401877

SCHEMBL25401877

CCOC(=O)C1CC(C(CC(C)C)NC(=O)c2ccccc2)=NO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ CTSK P43235 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PSMB5 P28074 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL25401872 1.00 ITGB1 (0.40) ITGB1ITGA4CAPN1CTSKSMN1; SMN2
SCHEMBL25399003 0.86 ITGB1 (0.52) ITGB1ITGA4CAPN1CTSLALDH1A1
SCHEMBL25399007 0.86 ITGB1 (0.52) ITGB1ITGA4CAPN1CTSLALDH1A1
SCHEMBL25399587 0.82 CCR1 (0.42) ITGB1ITGA4CAPN1RAB9A
SCHEMBL25399591 0.82 CCR1 (0.42) ITGB1ITGA4CAPN1RAB9A
SCHEMBL25399430 0.81 PSMB5 (0.43) PSMB5
SCHEMBL25400462 0.80 TP53 (0.51) SMN1; SMN2GAACTSLALDH1A1LMNA
SCHEMBL25400468 0.80 TP53 (0.51) SMN1; SMN2GAACTSLALDH1A1LMNA
SCHEMBL25396612 0.80 PSMB5 (0.51) PSMB5
SCHEMBL25396619 0.80 PSMB5 (0.51) PSMB5

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 4169/4885CAPN1 1492/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ITGB1 3574/4885ITGA4 4754/4885CAPN1 1062/4885

“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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