SCHEMBL25398203

SCHEMBL25398203

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CASP1 P29466 5/20 0.37
▸ CASP8 Q14790 4/20 0.37
▸ CASP3 P42574 3/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ CASP7 P55210 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL25398197 1.00 CCR1 (0.38) CCR1RAB9ACASP1CASP8CASP3
SCHEMBL25399591 0.89 CCR1 (0.42) CCR1RAB9ACASP1CASP8CASP3
SCHEMBL25399587 0.89 CCR1 (0.42) CCR1RAB9ACASP1CASP8CASP3
SCHEMBL6612467 0.81 CASP1 (0.47) CCR1RAB9ACASP1CASP3HDAC3
SCHEMBL25396776 0.80 RAB9A (0.44) RAB9ACASP1CASP8CASP3HDAC3
SCHEMBL25398919 0.80 CCR1 (0.42) CCR1RAB9ACASP1CASP3CASP7
SCHEMBL25398921 0.80 CCR1 (0.42) CCR1RAB9ACASP1CASP3CASP7
SCHEMBL29846785 0.80 RAB9A (0.46) CCR1RAB9AMEN1TP53MAPT
SCHEMBL24518112 0.74 CA1 (0.43) RAB9AMEN1MAPTTSHRKMT2A
SCHEMBL29846675 0.74 RAB9A (0.42) CCR1RAB9ACASP1CASP8CASP3

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 715/4885CASP1 1367/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 CCR1 2541/4885RAB9A 931/4885CASP1 349/4885

“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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