SCHEMBL6472078

SCHEMBL6472078

CS(=O)(=O)c1ccc(Cn2c(=O)[nH]c3sc(C#CCc4ccncc4)cc3c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARG Q86W56 4/20 0.36
RIPK3 Q9Y572 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
DDR1 Q08345 1/20 0.34
MMP13 P45452 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL6472061 0.90 TLR7 (0.41) TLR7MEN1KMT2APARGHTT
SCHEMBL6487927 0.77 CYP3A4 (0.39) MEN1KMT2ARIPK3CYP3A4CYP2C9
SCHEMBL6230758 0.77 MMP13 (0.37) RIPK3HTTCYP3A4CYP2C9PTGDR2
SCHEMBL5957648 0.74 TRPA1 (0.47) MEN1KMT2APARGRIPK3HTT
SCHEMBL6913822 0.74 PTGDR2 (0.41) PARGPTGDR2CA12CA1CA2
SCHEMBL6724934 0.74 PARG (0.40) PARGPTGDR2PKMPKLRMMP13
SCHEMBL6472619 0.73 PARG (0.41) PARGPTGDR2PKMPKLRMMP13
SCHEMBL6916560 0.73 PARG (0.39) MEN1KMT2APARGHTTPTGDR2
SCHEMBL6265426 0.72 MMP13 (0.48) MEN1KMT2APARGHTTMMP13
SCHEMBL6524088 0.72 PARG (0.38) MEN1KMT2APARGPTGDR2CA12

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 TLR7 2901/4885MEN1 3056/4885KMT2A 1976/4885

“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.