SCHEMBL6734834

SCHEMBL6734834

COc1ccc(COC(=O)c2cc3c(=O)n(Cc4ccccc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MAPK8 P45983 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
PAX8 Q06710 1/20 0.43
TP53 P04637 2/20 0.43
HDAC11 Q96DB2 1/20 0.43
PDE1B Q01064 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 2/20 0.42
ERCC5 P28715 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
SCHEMBL6252686 0.93 MMP13 (0.53) MMP13ALDH1A1MAPTLMNAPKM
SCHEMBL6254851 0.93 MMP13 (0.45) MMP13L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL6727702 0.93 MMP13 (0.45) MMP13L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL6917304 0.93 MAPT (0.48) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL6735501 0.93 MMP13 (0.47) MMP13L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL6732627 0.92 ALDH1A1 (0.47) MMP13L3MBTL1MAPK8ALDH1A1MAPT
SCHEMBL6254792 0.92 ALDH1A1 (0.49) MMP13L3MBTL1MAPK8ALDH1A1MAPT
SCHEMBL6533924 0.91 MMP13 (0.49) MMP13HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6730796 0.91 MMP13 (0.49) MMP13ALDH1A1MAPTLMNAPOLB
SCHEMBL6476942 0.90 MMP13 (0.48) MMP13HDAC6MAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885L3MBTL1 3703/4885TDP1 2109/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885L3MBTL1 4723/4885TDP1 2876/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885L3MBTL1 4656/4885TDP1 2450/4885

“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.