SCHEMBL5836945

SCHEMBL5836945

COc1ccc(Oc2ccc(-c3nc(O)co3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.54
ENPP1 P22413 1/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
LTA4H P09960 1/20 0.47
PDE4B Q07343 2/20 0.46
PDE4D Q08499 2/20 0.46
PTPN1 P18031 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR1 P21453 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL6168616 0.81 HDAC1 (0.41) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL5836271 0.77 ENPP3 (0.89) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL28289469 0.76 ENPP3 (0.59) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL8399604 0.76 ENPP3 (0.84) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL12952124 0.75 HDAC1 (0.54) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL12744497 0.74 ENPP3 (0.54) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL31604697 0.73 HDAC1 (0.72) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL5836250 0.73 ENPP3 (0.63) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL11560698 0.72 ENPP3 (0.55) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL25002914 0.72 HDAC1 (0.74) ENPP3ENPP1HDAC1HDAC8HDAC6

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 ENPP3 378/4885ENPP1 130/4885HDAC1 236/4885

“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.