SCHEMBL4374469

SCHEMBL4374469

COC(=O)[C@@](C)(N)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
DGAT1 O75907 1/20 0.35
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.31
AAK1 Q2M2I8 3/20 0.31

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
SCHEMBL10829557 1.00 MMP8 (0.42) MMP8DGAT1GRM2GRM3SMN1; SMN2
SCHEMBL4374468 1.00 MMP8 (0.42) MMP8DGAT1GRM2GRM3SMN1; SMN2
Hydrochloric Acid SCHEMBL1629537 0.98 MMP8 (0.41) MMP8DGAT1GRM2GRM3SMN1; SMN2
Hydrochloric Acid SCHEMBL27799052 0.98 MMP8 (0.41) MMP8DGAT1GRM2GRM3SMN1; SMN2
SCHEMBL28777358 0.83 MMP8 (0.38) MMP8GRM2GRM3
SCHEMBL10594002 0.82 SMN1; SMN2 (0.38) MMP8DGAT1SMN1; SMN2
SCHEMBL27506909 0.81 DGAT1 (0.34) MMP8DGAT1
SCHEMBL6593955 0.81 DGAT1 (0.34) MMP8DGAT1
SCHEMBL12319861 0.79 MMP8 (0.40) MMP8DGAT1GRM2GRM3AR
SCHEMBL6594108 0.79 MMP8 (0.56) MMP8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009141575-A1 INHIBITORS OF PLK CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 WO disclosed
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN disclosed
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
EP-0099057-B1 N-ACYL DERIVATIVES OF PEPTIDES, THEIR MANUFACTURE AND USE IN COMBATING DISEASES AND MEANS THEREFOR BASF Aktiengesellschaft (DE) 1987-10-14 EP disclosed
US-4610817-A N-acyl derivatives of peptides, their preparation and their use in the treatment of disorders, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0099057-A2 N-acyl derivatives of peptides, their manufacture and use in combating diseases and means therefor BASF Aktiengesellschaft (DE) 1984-01-25 EP 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 MMP8 997/4885DGAT1 468/4885GRM2 3731/4885

“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.