SCHEMBL5836271

SCHEMBL5836271

COc1ccc(Oc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.89
ENPP1 P22413 2/20 0.89
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
S1PR1 P21453 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
MMP13 P45452 2/20 0.52
LTA4H P09960 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MCL1 Q07820 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ACACA Q13085 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8399604 0.89 ENPP3 (0.84) ENPP3ENPP1NPC1RAB9AS1PR1
SCHEMBL5837339 0.85 ENPP3 (0.65) ENPP3ENPP1NPC1RAB9AMMP13
SCHEMBL5836250 0.83 ENPP3 (0.63) ENPP3ENPP1NPC1RAB9AS1PR1
SCHEMBL5836665 0.82 ENPP3 (0.61) ENPP3ENPP1NPC1RAB9ANR1H4
SCHEMBL1177949 0.82 ENPP3 (0.74) ENPP3ENPP1NPC1RAB9AS1PR1
SCHEMBL11566150 0.82 ENPP3 (0.72) ENPP3ENPP1NPC1RAB9ANR1H4
SCHEMBL3271684 0.82 ENPP3 (0.72) ENPP3ENPP1NPC1RAB9ANR1H4
SCHEMBL5836845 0.81 MMP13 (0.62) ENPP3ENPP1MMP13ALDH1A1USP2
SCHEMBL5664564 0.81 ENPP3 (0.75) ENPP3ENPP1NPC1RAB9AMMP13
Benzene SCHEMBL16781371 0.80 ENPP3 (0.69) ENPP3ENPP1NPC1RAB9ANR1H4

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 ENPP3 378/4885ENPP1 130/4885NPC1 3581/4885

“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.