SCHEMBL5423348

SCHEMBL5423348

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.56
MMP2 P08253 8/20 0.56
MMP3 P08254 8/20 0.56
MMP1 P03956 7/20 0.56
MMP7 P09237 6/20 0.56
PYGL P06737 10/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5194286 0.99 MMP13 (0.54) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5192203 0.88 MMP13 (0.46) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5192086 0.88 PYGL (0.49) PYGLCNR1CNR2CYP2C9
SCHEMBL5194927 0.88 PYGL (0.49) PYGLCNR1CNR2CYP2C9
SCHEMBL5195559 0.86 PYGL (0.45) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5194492 0.85 PYGL (0.48) PYGLCYP2C9
SCHEMBL5196528 0.84 MMP13 (0.55) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5427731 0.83 PYGL (0.48) PYGLCNR1CNR2CYP2C9
SCHEMBL5192583 0.82 MMP13 (0.53) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5191862 0.81 PYGL (0.55) PYGLCYP2C9

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 1 patent. 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

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.