SCHEMBL5836684

SCHEMBL5836684

N#Cc1cccc(-c2coc(-c3ccc(Oc4ccc(O)cc4)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.58
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
NOTUM Q6P988 1/20 0.40
GRM5 P41594 1/20 0.40
USP7 Q93009 1/20 0.40
XDH P47989 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
ATR Q13535 1/20 0.39
SCN9A Q15858 3/20 0.38
IDO1 P14902 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL5836845 0.88 MMP13 (0.62) MMP13ENPP3ENPP1
SCHEMBL5836841 0.81 MMP13 (0.53) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL5837339 0.81 ENPP3 (0.65) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL5836215 0.78 MMP13 (0.57) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL12871327 0.77 HSD17B1 (0.88) HSD17B1HSD17B2ENPP3ENPP1USP7
SCHEMBL5835617 0.74 MMP13 (1.00) MMP13
SCHEMBL16670394 0.72 LTA4H (0.53) SCN9ACYP11B1CYP11B2
SCHEMBL5836277 0.72 MMP13 (0.52) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL4187927 0.71 GRM5 (0.47) MMP13ENPP3ENPP1NOTUMGRM5
SCHEMBL1004627 0.71 ENPP3 (0.57) MMP13HSD17B1HSD17B2ENPP3ENPP1

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 15/4885HSD17B1 360/4885HSD17B2 492/4885

“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.