SCHEMBL5697142

SCHEMBL5697142

CC(C)(C)OC(=O)c1ccc(Cn2ccc3ccc(C#CCc4ccccc4)cc3c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.58
SLC22A8 Q8TCC7 1/20 0.48
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PDPK1 O15530 1/20 0.37
RECQL P46063 1/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5697177 0.90 MMP13 (0.71) MMP13SLC22A8MAPK10
SCHEMBL5697153 0.86 MMP13 (0.68) MMP13SLC22A8
SCHEMBL8345034 0.85 CRHBP (0.41) MMP13CRHBPCRHR2RECQLMAPK10
SCHEMBL5697258 0.85 MMP13 (0.57) MMP13SLC22A8GABRA1GABRG2GABRB3
SCHEMBL6167249 0.84 MMP13 (0.56) MMP13SLC22A8PDPK1
SCHEMBL6247584 0.84 MMP13 (0.52) MMP13SLC22A8GABRA1GABRG2GABRB3
SCHEMBL5697180 0.84 MMP13 (0.60) MMP13GABRA1GABRG2GABRB3GABRA3
SCHEMBL6177228 0.83 MMP13 (0.43) MMP13SLC22A8GABRA1GABRG2GABRB3
SCHEMBL6286878 0.83 MMP13 (0.50) MMP13SLC22A8GABRA1GABRG2GABRB3
SCHEMBL6704286 0.82 EPHX2 (0.44) MMP13CRHBPCRHR2RECQLMAPK10

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 1909/4885GABRA1 654/4885
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885SLC22A8 1532/4885GABRA1 4743/4885

“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.