SCHEMBL6468533

SCHEMBL6468533

Cn1c(=O)n(CI)c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.44
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
TSHR P16473 3/20 0.43
ESR1 P03372 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PSMD14 O00487 1/20 0.38
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
ABL1 P00519 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6253141 0.90 MMP13 (0.45) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6258180 0.90 MAPT (0.46) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6257988 0.90 MMP13 (0.45) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6733514 0.90 MMP13 (0.45) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6255169 0.90 KMT2A (0.46) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6252686 0.90 MMP13 (0.53) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6255902 0.89 MMP13 (0.47) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6471338 0.89 MMP13 (0.44) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6733666 0.88 MMP13 (0.44) MMP13KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6259363 0.88 ADORA2B (0.44) MMP13KDM4EHSD17B10HPGDALDH1A1

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 1/4885KDM4E 1577/4885HSD17B10 504/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885KDM4E 476/4885HSD17B10 231/4885
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 1/4885KDM4E 559/4885HSD17B10 193/4885

“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.