SCHEMBL5884593

SCHEMBL5884593

COC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
AKT1 P31749 3/20 0.46
RECQL P46063 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.42
PTGES O14684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4147838 0.90 HDAC1 (0.56) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL4137813 0.87 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL2112935 0.83 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL3328177 0.83 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL9060170 0.83 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL9823156 0.83 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2TDP1
SCHEMBL5736847 0.82 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL15198802 0.82 HDAC3 (0.44) HDAC1HDAC3HDAC2NCOR2TDP1
SCHEMBL1231760 0.82 HDAC3 (0.53) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL8525848 0.82 HDAC3 (0.56) HDAC1HDAC3HDAC2NCOR2CTSL

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-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO 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 (1 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-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP9, ADAM17, MMP3 HDAC1 128/4885HDAC3 114/4885HDAC2 310/4885

“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.