SCHEMBL6472066

SCHEMBL6472066

CS(=O)(=O)c1ccc(Cn2cc3cc(C#CCc4cccnc4)sc3[n+]([O-])c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
JAK2 O60674 2/20 0.33
PTK2 Q05397 2/20 0.33
GHSR Q92847 1/20 0.33
TLR7 Q9NYK1 3/20 0.33
NAMPT P43490 2/20 0.33
MMP13 P45452 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
LOX P28300 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL6485796 0.79 PTGS2 (0.39) PTGS2PTGS1CYP3A4CYP2C9NAMPT
SCHEMBL6230930 0.77 DHPS (0.39) PTGS2PTGS1JAK2PTK2NAMPT
SCHEMBL6472061 0.73 TLR7 (0.41) PTGS2PTGS1CYP3A4CYP2C9TLR7
SCHEMBL6231683 0.71 PTGS2 (0.37) PTGS2PTGS1CYP3A4CYP2C9JAK2
SCHEMBL6296203 0.68 MMP13 (0.51) PTGS2PTGS1MMP13
SCHEMBL6298053 0.68 MMP13 (0.67) MMP13
SCHEMBL6487927 0.67 CYP3A4 (0.39) CYP3A4CYP2C9NAMPTMMP13MAPK10
SCHEMBL6916539 0.67 PTGS2 (0.37) PTGS2PTGS1CYP3A4CYP2C9JAK2
SCHEMBL6230758 0.66 MMP13 (0.37) CYP3A4CYP2C9NAMPTMMP13
SCHEMBL6232596 0.65 MMP13 (0.46) MMP13MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (1 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 PTGS2 663/4885PTGS1 381/4885CYP3A4 2508/4885

“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.