SCHEMBL5697234

SCHEMBL5697234

COc1ccc(CC(=O)Oc2ccc3ccn(Cc4ccc(C(=O)O)cc4)c(=O)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MMP13 P45452 3/20 0.47
KMT2A Q03164 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 4/20 0.44
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43

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
SCHEMBL5697150 0.92 PTGER4 (0.53) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL5697056 0.90 KMT2A (0.43) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL5697224 0.85 NR4A2 (0.45) MMP13POLBLMNAPTGER4PTGER2
SCHEMBL5697139 0.83 HDAC6 (0.53) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL5696910 0.82 MMP13 (0.69) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL2611339 0.78 HDAC6 (0.74) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL5696996 0.77 MMP13 (0.55) HDAC8HDAC6HDAC11HDAC1MMP13
SCHEMBL8340351 0.75 EGLN1 (0.46) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6697114 0.75 HDAC11 (0.43) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL5697002 0.75 MMP13 (0.62) HDAC8HDAC6HDAC11HDAC3HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2006-11-02 US disclosed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-07-22 US 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 (3 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-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 HDAC8 80/4885HDAC6 40/4885HDAC11 31/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 HDAC8 1388/4885HDAC6 1154/4885HDAC11 693/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 HDAC8 88/4885HDAC6 39/4885HDAC11 25/4885

“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.