SCHEMBL5836845

SCHEMBL5836845

COc1ccc(Oc2ccc(-c3nc(-c4cccc(C#N)c4)co3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.62
ENPP3 O14638 2/20 0.60
ENPP1 P22413 1/20 0.60
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGDR Q13258 1/20 0.46
CYP1A2 P05177 3/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
ACP1 P24666 2/20 0.43
DYRK1A Q13627 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
BRAF P15056 1/20 0.41
NPBWR1 P48145 1/20 0.41

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
SCHEMBL5836684 0.88 MMP13 (0.58) MMP13ENPP3ENPP1
SCHEMBL5836841 0.81 MMP13 (0.53) MMP13ENPP3ENPP1ALDH1A1CYP1A2
SCHEMBL1177949 0.81 ENPP3 (0.74) ENPP3ENPP1ALDH1A1TSHR
SCHEMBL5836271 0.81 ENPP3 (0.89) MMP13ENPP3ENPP1ALDH1A1MAPT
SCHEMBL4187927 0.81 GRM5 (0.47) MMP13ENPP3ENPP1ALDH1A1TSHR
SCHEMBL5835617 0.78 MMP13 (1.00) MMP13
SCHEMBL5836404 0.78 MMP13 (0.62) MMP13ENPP3ENPP1ALDH1A1MEN1
SCHEMBL8399604 0.76 ENPP3 (0.84) ENPP3ENPP1ALDH1A1MAPTKMT2A
SCHEMBL8481744 0.75 ABL1 (0.58) ALDH1A1TSHRMEN1MAPTHTT
SCHEMBL5836170 0.75 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 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 15/4885ENPP3 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.