SCHEMBL5192008

SCHEMBL5192008

COc1ccc(-c2ccc(C(=O)NC(c3nnn[nH]3)C3CCCCC3)c(N)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 2/20 0.40
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL5192018 1.00 MMP13 (0.41) MMP13MMP1MMP2MMP3MMP7
SCHEMBL5417274 0.86 ABCB1 (0.41) MMP13MMP1MMP2MMP3MMP7
SCHEMBL5417288 0.86 ABCB1 (0.41) MMP13MMP1MMP2MMP3MMP7
SCHEMBL5423954 0.82 PYGL (0.54)
SCHEMBL5423950 0.82 PYGL (0.54)
SCHEMBL5423348 0.81 MMP13 (0.56) MMP13MMP1MMP2MMP3MMP7
SCHEMBL5194286 0.80 MMP13 (0.54) MMP13MMP1MMP2MMP3MMP7
SCHEMBL5192203 0.77 MMP13 (0.46) MMP13MMP1MMP2MMP3MMP7
SCHEMBL5194927 0.69 PYGL (0.49) CNR1CNR2
SCHEMBL5192086 0.69 PYGL (0.49) CNR1CNR2

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 804/4885MMP1 422/4885MMP2 625/4885

“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.