Sugi Predict

Sugi Predict / Compounds / SCHEMBL6728059

SCHEMBL6728059

SCHEMBL6728059

O=C(OCc1ccccc1)c1cc2c(=O)n(Cc3ccon3)c(=O)[nH]c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL6729283 0.86 MMP13 (0.41) MMP13ALDH1A1MMP1MMP2MMP9
SCHEMBL6258644 0.86 MMP13 (0.54) MMP13ALDH1A1MMP1MMP2MMP9
SCHEMBL6252407 0.83 MMP13 (0.45) MMP13ALDH1A1MMP1MMP2MMP9
SCHEMBL6259959 0.83 MMP13 (0.49) MMP13ALDH1A1MMP1MMP2MMP9
SCHEMBL6470972 0.83 MMP13 (0.41) MMP13ALDH1A1ADORA3KDM4EHPGD
SCHEMBL6477447 0.83 MMP13 (0.41) MMP13ALDH1A1MMP1MMP2MMP9
SCHEMBL6724945 0.83 MMP13 (0.41) MMP13ALDH1A1MMP1MMP2MMP9
SCHEMBL6733106 0.82 ALDH1A1 (0.48) MMP13ALDH1A1MMP1MMP2MMP9
SCHEMBL6260515 0.81 MMP13 (0.46) MMP13ALDH1A1MMP1MMP2MMP9
SCHEMBL6473121 0.81 MMP13 (0.43) MMP13ALDH1A1MMP1MMP2MMP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 — — US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 — — US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 — — US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 — — 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 (3 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885ALDH1A1 812/4885MMP1 5/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885ALDH1A1 1764/4885MMP1 17/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885ALDH1A1 878/4885MMP1 11/4885

“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.