SCHEMBL5836404

SCHEMBL5836404

COc1ccc(Oc2ccc(-c3nc(-c4ccccc4C#N)co3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.62
ENPP3 O14638 3/20 0.57
ENPP1 P22413 2/20 0.57
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
NR1H4 Q96RI1 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL5836215 0.88 MMP13 (0.57) MMP13ENPP3ENPP1ALDH1A1
SCHEMBL5836665 0.81 ENPP3 (0.61) MMP13ENPP3ENPP1ALDH1A1KDM4E
SCHEMBL5836401 0.81 MMP13 (0.52) MMP13ENPP3ENPP1POLBKMT2A
SCHEMBL5836271 0.79 ENPP3 (0.89) MMP13ENPP3ENPP1ALDH1A1KDM4E
SCHEMBL5836845 0.78 MMP13 (0.62) MMP13ENPP3ENPP1KMT2AMEN1
SCHEMBL5836250 0.75 ENPP3 (0.63) MMP13ENPP3ENPP1GAAALDH1A1
SCHEMBL5836910 0.74 MMP13 (1.00) MMP13
SCHEMBL6951995 0.74 ESR2 (0.59) GAAPOLBKMT2AMEN1ALDH1A1
SCHEMBL8399604 0.74 ENPP3 (0.84) ENPP3ENPP1POLBKMT2AALDH1A1
SCHEMBL6170693 0.71 MMP13 (0.55) MMP13ENPP3ENPP1ALDH1A1KDM4E

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 15/4885ENPP3 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.