SCHEMBL5697101

SCHEMBL5697101

CN1C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)Cc2cc(C#CCc3ccccc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.41
SLC22A8 Q8TCC7 1/20 0.40
GRM5 P41594 1/20 0.38
PRMT5 O14744 3/20 0.38
WDR77 Q9BQA1 3/20 0.38
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
NR3C1 P04150 1/20 0.36
PKM P14618 1/20 0.36
CCR2 P41597 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL6705933 0.92 POLB (0.39) MMP13PRMT5WDR77PKMCCR2
SCHEMBL6708293 0.92 PKM (0.38) MMP13GRM5PRMT5WDR77OPRM1
SCHEMBL6706048 0.91 MMP13 (0.37) MMP13PRMT5WDR77PKMCCR2
SCHEMBL6704758 0.91 GRM5 (0.44) MMP13SLC22A8GRM5
SCHEMBL6706896 0.91 CYP3A4 (0.36) MMP13SLC22A8PRMT5WDR77PKM
SCHEMBL6706809 0.88 MMP13 (0.42) MMP13SLC22A8GRM5
SCHEMBL6706842 0.87 MMP13 (0.48) MMP13SLC22A8GRM5PRMT5WDR77
SCHEMBL6915307 0.86 MMP13 (0.39) MMP13SLC22A8GRM5
SCHEMBL6706100 0.85 MMP13 (0.42) MMP13SLC22A8GRM5OPRM1OPRL1
SCHEMBL6706890 0.85 MMP13 (0.55) MMP13SLC22A8GRM5

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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US claimed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
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
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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US disclosed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE 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 1909/4885GRM5 500/4885
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 MMP13 2/4885SLC22A8 1108/4885GRM5 672/4885

“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.