SCHEMBL6472061

SCHEMBL6472061

CS(=O)(=O)c1ccc(Cn2c(=O)[nH]c3sc(C#CCc4cccnc4)cc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.41
PKM P14618 5/20 0.38
KMT2A Q03164 4/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PARG Q86W56 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPK10 P53779 1/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HIF1A Q16665 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 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
SCHEMBL6472078 0.90 TLR7 (0.38) TLR7PKMKMT2APARGMEN1
SCHEMBL6230930 0.80 DHPS (0.39) PKMKMT2APTGS1PTGS2MAPT
SCHEMBL6485796 0.80 PTGS2 (0.39) PKMPTGS1PTGS2CYP3A4CYP2C9
SCHEMBL6734140 0.74 HIF1A (0.51) PKMPARGHIF1AALDH1A1HTT
SCHEMBL6472066 0.73 PTGS2 (0.36) TLR7PTGS1PTGS2MAPK10CYP3A4
SCHEMBL7022555 0.73 ALDH1A1 (0.36) PKMKMT2AOPRM1OPRD1MAPK10
SCHEMBL7039135 0.71 MMP13 (0.54) PKMPARGHIF1AALDH1A1HTT
SCHEMBL7035441 0.71 MMP13 (0.35) ALDH1A1
SCHEMBL6735953 0.71 PARG (0.41) KMT2APARGMAPT
SCHEMBL6296203 0.71 MMP13 (0.51) PTGS1PTGS2HTT

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 2901/4885PKM 4752/4885KMT2A 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.