SCHEMBL25399591

SCHEMBL25399591

CCOC(=O)C1CC(C(CC(C)C)NC(=O)c2nccc3ccccc23)=NO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.42
▸ CASP1 P29466 7/20 0.39
▸ CASP3 P42574 4/20 0.39
▸ CASP7 P55210 3/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ RAB9A P51151 1/20 0.36
▸ CASP8 Q14790 5/20 0.34
▸ CASP6 P55212 2/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 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
SCHEMBL25399587 1.00 CCR1 (0.42) CCR1CASP1CASP3CASP7CCR3
SCHEMBL25398197 0.89 CCR1 (0.38) CCR1CASP1CASP3CASP7RAB9A
SCHEMBL25398203 0.89 CCR1 (0.38) CCR1CASP1CASP3CASP7RAB9A
SCHEMBL25399419 0.83 CCR1 (0.42) CCR1CASP1CASP3CASP7HDAC3
SCHEMBL25399414 0.83 CCR1 (0.42) CCR1CASP1CASP3CASP7HDAC3
SCHEMBL25401872 0.82 ITGB1 (0.40) RAB9AITGB1ITGA4CAPN1
SCHEMBL25401877 0.82 ITGB1 (0.40) RAB9AITGB1ITGA4CAPN1
SCHEMBL29846515 0.81 CCR1 (0.49) CCR1CASP1CASP3CASP7RAB9A
SCHEMBL25396776 0.78 RAB9A (0.44) CASP1CASP3RAB9ACASP8HDAC3
SCHEMBL25399003 0.77 ITGB1 (0.52) CASP1CASP3ITGB1ITGA4MEN1

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 297/4885CASP1 1367/4885CASP3 2821/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 CCR1 2541/4885CASP1 349/4885CASP3 1789/4885

“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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