SCHEMBL5196528

SCHEMBL5196528

COc1ccc(-c2ccc(C(=O)N[C@H](C(=O)O)C3CCCCC3)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.55
MMP2 P08253 8/20 0.55
MMP3 P08254 8/20 0.55
MMP1 P03956 7/20 0.55
MMP7 P09237 6/20 0.55
ABCB1 P08183 2/20 0.48
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PYGL P06737 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 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
SCHEMBL5192583 0.99 MMP13 (0.53) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5197711 0.89 MEN1 (0.51) ABCB1PYGLMEN1LMNAMAPT
SCHEMBL5195223 0.87 ABCB1 (0.47) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5195664 0.86 ABCB1 (0.50) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5195668 0.84 PYGL (0.46) ABCB1PYGLMEN1LMNAMAPT
SCHEMBL5418878 0.84 PYGL (0.45) ABCB1PYGLMEN1LMNAMAPT
SCHEMBL5423348 0.84 MMP13 (0.56) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5194286 0.83 MMP13 (0.54) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5193891 0.82 PYGL (0.52) ABCB1PYGLMEN1LMNAMAPT
SCHEMBL5417274 0.82 ABCB1 (0.41) MMP13MMP2MMP3MMP1MMP7

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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 MMP13 804/4885MMP2 625/4885MMP3 885/4885

“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.