SCHEMBL6735485

SCHEMBL6735485

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ccccc3)[nH]c21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.48
MMP2 P08253 3/20 0.45
MMP12 P39900 3/20 0.45
MMP9 P14780 2/20 0.45
MMP1 P03956 2/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
MMP13 P45452 2/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6736483 0.78 JAK2 (0.45) ADORA3ADORA2BMMP13PKMRAB9A
SCHEMBL6258864 0.78 AKR1B1 (0.46) ADORA3ADORA2BMMP13PKMRAB9A
SCHEMBL6684759 0.77 ALDH1A1 (0.41) PDE3BPDE3AADORA2BPKMKDM4E
SCHEMBL6244271 0.77 MMP13 (0.58) MMP13RAB9ASMN1; SMN2SLC22A8ALDH1A1
SCHEMBL6252686 0.76 MMP13 (0.53) ADORA3ADORA2BMMP13PKMRAB9A
SCHEMBL6533924 0.73 MMP13 (0.49) MMP13PKMRAB9ASMN1; SMN2SLC22A8
SCHEMBL6730796 0.73 MMP13 (0.49) MMP13SMN1; SMN2SLC22A8KDM4EALDH1A1
SCHEMBL7366178 0.73 MMP1 (0.55) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL8340646 0.72 PTGS1 (0.41) LGMNPDE3BPDE3AADORA2BMMP13
SCHEMBL6476942 0.72 MMP13 (0.48) MMP13

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 4 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
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
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 LGMN 2203/4885MMP2 16/4885MMP12 19/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 LGMN 2437/4885MMP2 18/4885MMP12 7/4885
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 LGMN 2812/4885MMP2 19/4885MMP12 6/4885

“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.