SCHEMBL6461031

SCHEMBL6461031

CC(c1ccc(C(=O)O)cc1)n1c(=O)[nH]c2sc(C#CCc3ccc([N+](=O)[O-])cc3)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G4A P47712 1/20 0.34
SRD5A2 P31213 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G4B P0C869 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GPR35 Q9HC97 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL6912473 0.90 MMP13 (0.38) MMP13SLC22A8
SCHEMBL6916599 0.90 MMP13 (0.38) MMP13SLC22A8TDP1MAPTKDM4E
SCHEMBL6733045 0.89 MMP13 (0.37) MMP13SLC22A8KDM4EALDH1A1MEN1
SCHEMBL6736341 0.89 MMP13 (0.39) MMP13SLC22A8PLA2G4A
SCHEMBL6736372 0.87 MMP13 (0.43) MMP13SLC22A8MAPTKDM4EALDH1A1
SCHEMBL6735961 0.87 MMP13 (0.36) MMP13SLC22A8
SCHEMBL6471589 0.87 MMP13 (0.35) MMP13SLC22A8
SCHEMBL6471042 0.84 MMP13 (0.36) MMP13SLC22A8MEN1KMT2A
SCHEMBL6471978 0.83 MMP13 (0.36) MMP13SLC22A8MAPTMEN1KMT2A
SCHEMBL6461412 0.83 MMP13 (0.36) MMP13SLC22A8PLA2G4ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US 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 605/4885TDP1 2109/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885TDP1 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 1/4885SLC22A8 123/4885TDP1 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.