SCHEMBL5697177

SCHEMBL5697177

COC(=O)c1ccc(Cn2ccc3ccc(C#CCc4ccccc4)cc3c2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.71
SLC22A8 Q8TCC7 1/20 0.50
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK10 P53779 1/20 0.41
P2RX7 Q99572 1/20 0.41
PSMB1 P20618 1/20 0.40
PSMB2 P49721 1/20 0.40
MAPK8 P45983 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
SCHEMBL5697057 0.91 MMP13 (0.60) MMP13SLC22A8MAPK10MAPK8
SCHEMBL5697142 0.90 MMP13 (0.58) MMP13SLC22A8MAPK10
SCHEMBL5697153 0.89 MMP13 (0.68) MMP13SLC22A8
SCHEMBL6167249 0.87 MMP13 (0.56) MMP13SLC22A8
SCHEMBL2117651 0.84 MMP13 (0.48) MMP13LMNAALDH1A1MAPK10P2RX7
SCHEMBL5696968 0.83 MMP13 (1.00) MMP13MAPK10
SCHEMBL6180019 0.83 MMP13 (0.51) MMP13SLC22A8PSMB1PSMB2
SCHEMBL5697042 0.83 MMP13 (0.67) MMP13SLC22A8LMNAALDH1A1
SCHEMBL6177765 0.82 MMP13 (0.51) MMP13SLC22A8MAPK10MAPK8
SCHEMBL6291414 0.82 MMP13 (0.61) MMP13SLC22A8ALDH1A1MAPK10P2RX7

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
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US disclosed
WO-2004014379-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (2 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-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MMP13 1/4885SLC22A8 1909/4885LMNA 2011/4885
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885SLC22A8 1532/4885LMNA 1815/4885

“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.