SCHEMBL5836841

SCHEMBL5836841

N#Cc1cccc(-c2coc(-c3ccc(OCOc4ccccc4)cc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.53
ENPP3 O14638 2/20 0.50
ENPP1 P22413 2/20 0.50
ATR Q13535 2/20 0.46
GRM5 P41594 4/20 0.45
CLK4 Q9HAZ1 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A3 P47895 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PRKDC P78527 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL5836267 0.85 ENPP1 (0.67) MMP13ENPP3ENPP1ALDH1A1MAOA
SCHEMBL5836684 0.81 MMP13 (0.58) MMP13ENPP3ENPP1ATRGRM5
SCHEMBL5836845 0.81 MMP13 (0.62) MMP13ENPP3ENPP1CLK4USP2
SCHEMBL5836401 0.80 MMP13 (0.52) MMP13ENPP3ENPP1ATRGRM5
SCHEMBL1004627 0.77 ENPP3 (0.57) MMP13ENPP3ENPP1GRM5NOTUM
SCHEMBL5836248 0.75 ENPP3 (0.50) MMP13ENPP3ENPP1GRM5ALDH1A1
SCHEMBL4187029 0.74 GRM5 (0.72) GRM5CLK4NOTUM
SCHEMBL4187927 0.74 GRM5 (0.47) MMP13ENPP3ENPP1GRM5CLK4
SCHEMBL5836663 0.73 MMP13 (0.50) MMP13ENPP3ENPP1GRM5ALDH1A1
SCHEMBL5835943 0.72 ENPP3 (0.47) MMP13ENPP3ENPP1GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119201-B2 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC (US) 2006-10-10 US disclosed
EP-1501515-B1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-02 EP disclosed
US-20040006057-A1 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER PRODUCTS INC. 2004-01-08 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-20040006057-A1 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP8, MMP9, MMP1 MMP13 15/4885ENPP3 378/4885ENPP1 130/4885

“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.