SCHEMBL5836726

SCHEMBL5836726

Oc1ccc(Oc2ccc(-c3nc(-c4ccccc4F)co3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.55
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
ENPP3 O14638 2/20 0.45
ENPP1 P22413 2/20 0.45
USP7 Q93009 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
LTA4H P09960 2/20 0.39
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
VCP P55072 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5836665 0.87 ENPP3 (0.61) MMP13ENPP3ENPP1NPC1RAB9A
SCHEMBL6170726 0.86 MMP13 (0.50) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL5837339 0.82 ENPP3 (0.65) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL5836215 0.81 MMP13 (0.57) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL6170693 0.81 MMP13 (0.55) MMP13ENPP3ENPP1NPC1RAB9A
SCHEMBL6170731 0.80 MMP13 (0.44) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL5836663 0.80 MMP13 (0.50) MMP13ENPP3ENPP1NPC1RAB9A
SCHEMBL5836277 0.78 MMP13 (0.52) MMP13HSD17B1HSD17B2ENPP3ENPP1
SCHEMBL6170686 0.73 MAPT (0.47) MMP13ENPP3ENPP1NPC1RAB9A
SCHEMBL5835666 0.72 MMP13 (1.00) MMP13

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 5 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
EP-1501515-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
US-20040006057-A1 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER PRODUCTS INC. 2004-01-08 US disclosed
WO-2003090752-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 WO 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.