SCHEMBL5697179

SCHEMBL5697179

COC(=O)c1ccc(C(=O)N2C=Cc3ccc(C#CCc4ccccc4)cc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.47
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.36
NAMPT P43490 2/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.35
AR P10275 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MGLL Q99685 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5697064 0.93 MMP13 (0.42) MMP13RAB9AHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL5697146 0.90 MMP13 (0.38) MMP13SLC22A8HSP90AA1HSP90AB1FFAR1
SCHEMBL5697161 0.89 MMP13 (0.43) MMP13SLC22A8RAB9AHSP90AA1HSP90AB1
SCHEMBL5697123 0.84 MMP13 (0.42) MMP13CA1CA2
SCHEMBL6177772 0.83 HTT (0.43) MMP13SLC22A8RAB9ANPC1SMN1; SMN2
SCHEMBL5697248 0.81 GRM5 (0.39) MMP13NAMPTFFAR1
SCHEMBL6181623 0.79 CD274 (0.49) SMN1; SMN2
SCHEMBL6176363 0.79 MMP13 (0.33) MMP13SLC22A8NAMPTFFAR1FFAR4
SCHEMBL6178160 0.76 TDP1 (0.39) MMP13CA1CA2NAMPTRAB9A
SCHEMBL5697263 0.74 MMP13 (0.38) MMP13SLC22A8HSP90AA1HSP90AB1FFAR1

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 1/4885CA1 878/4885CA2 72/4885
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885CA1 1576/4885CA2 503/4885

“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.