SCHEMBL5422892

SCHEMBL5422892

Nc1cc2ccccc2cc1C(=O)N[C@H](C(=O)O)[C@H]1CCC[C@@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 18/20 0.49
CYP2C9 P11712 6/20 0.48
IDO1 P14902 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 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
SCHEMBL5193828 0.88 PYGL (0.60) PYGLCYP2C9IDO1
SCHEMBL5191876 0.87 PYGL (0.62) PYGLCYP2C9IDO1
Hydrochloric Acid SCHEMBL5192284 0.86 PYGL (0.61) PYGLCYP2C9IDO1
SCHEMBL5195809 0.86 PYGL (0.50) PYGLCYP2C9IDO1
SCHEMBL5216655 0.85 PYGL (0.38) PYGLCYP2C9IDO1MMP1MMP2
SCHEMBL5423321 0.81 PYGL (0.62) PYGLCYP2C9IDO1
Hydrochloric Acid SCHEMBL5196178 0.80 PYGL (0.59) PYGLCYP2C9IDO1
Hydrochloric Acid SCHEMBL5211970 0.80 PYGL (0.59) PYGLCYP2C9
Hydrochloric Acid SCHEMBL5211974 0.80 PYGL (0.59) PYGLCYP2C9
Hydrochloric Acid SCHEMBL5211964 0.80 PYGL (0.59) 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 PYGL 2/4885CYP2C9 2982/4885IDO1 2940/4885

“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.