SCHEMBL5697102

SCHEMBL5697102

O=C(Cc1ccc(F)cc1)Oc1ccc2ncn(Cc3ccc(C(=O)O)cc3)c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.57
SLC22A8 Q8TCC7 1/20 0.50

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
SCHEMBL5696979 0.91 MMP13 (0.59) MMP13SLC22A8
SCHEMBL5696910 0.90 MMP13 (0.69) MMP13SLC22A8
SCHEMBL5697002 0.84 MMP13 (0.62) MMP13SLC22A8
SCHEMBL5696971 0.84 MMP13 (0.65) MMP13
SCHEMBL5697056 0.82 KMT2A (0.43) MMP13
SCHEMBL5696989 0.81 SCD (0.62) MMP13
SCHEMBL6426133 0.78 MMP13 (0.85) MMP13SLC22A8
SCHEMBL23520500 0.77 MMP13 (0.65) MMP13
SCHEMBL6296213 0.77 MMP13 (0.66) MMP13
SCHEMBL6298035 0.76 MMP13 (0.64) MMP13SLC22A8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2006-11-02 US disclosed
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-1587516-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-10-26 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
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-07-22 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-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 MMP13 1/4885SLC22A8 1010/4885
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 1909/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MMP13 1/4885SLC22A8 1108/4885

“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.