SCHEMBL6470824

SCHEMBL6470824

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MAPK8 P45983 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 6/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
TRPA1 O75762 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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 0.94 MMP13 (0.53) MMP13SLC22A8MEN1KMT2ATRPA1
SCHEMBL6916557 0.93 MMP13 (0.46) MMP13SLC22A8MAPK8KMT2AHDAC1
SCHEMBL6913357 0.93 MMP13 (0.46) MMP13SLC22A8MEN1KMT2AHDAC1
SCHEMBL6533924 0.92 MMP13 (0.49) MMP13SLC22A8MEN1KMT2AHDAC1
SCHEMBL6730796 0.92 MMP13 (0.49) MMP13SLC22A8MEN1KMT2ATRPA1
SCHEMBL6476942 0.91 MMP13 (0.48) MMP13MEN1KMT2AHDAC6TRPA1
SCHEMBL6724753 0.91 MMP13 (0.48) MMP13SLC22A8MAPK8MEN1KMT2A
SCHEMBL6258183 0.91 MMP13 (0.48) MMP13SLC22A8MAPK8MEN1KMT2A
SCHEMBL6470802 0.91 TRPA1 (0.48) MMP13MEN1KMT2AHDAC1HDAC6
SCHEMBL6730265 0.91 MMP13 (0.48) MMP13MEN1KMT2AHDAC6TRPA1

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
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
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
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885SLC22A8 605/4885MAPK8 1907/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885MAPK8 1224/4885
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 1/4885SLC22A8 123/4885MAPK8 1886/4885

“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.