SCHEMBL6741795

SCHEMBL6741795

COC(=O)[C@H](C)N(C)C(=O)Cc1ccc(O[C@H](CC(=O)OC(C)(C)C)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
ALOX5 P09917 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A9 P48067 5/20 0.37
CNR2 P34972 1/20 0.36
KLK7 P49862 1/20 0.36
FFAR1 O14842 1/20 0.35
OPRD1 P41143 1/20 0.35
CCR5 P51681 1/20 0.35
ABCB1 P08183 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
SCHEMBL6976977 0.82 FFAR1 (0.43) SLC6A9CNR2KLK7FFAR1ABCB1
SCHEMBL6740440 0.81 FFAR1 (0.54) NPY5RALOX5TDP1CNR2FFAR1
SCHEMBL15827677 0.72 SLC6A9 (0.47) SLC6A9
SCHEMBL15809499 0.72 SLC6A9 (0.47) SLC6A9
SCHEMBL15827694 0.72 SLC6A9 (0.47) SLC6A9
SCHEMBL6744396 0.72 FFAR1 (0.56) NPY5RALOX5OPRK1CNR2FFAR1
SCHEMBL6741799 0.71 PRKCA (0.46) NPY5RALOX5FFAR1
SCHEMBL6741789 0.71 PRKCA (0.46) NPY5RALOX5FFAR1
SCHEMBL6737349 0.70 FFAR1 (0.52) NPY5RALOX5CNR2FFAR1
SCHEMBL7828941 0.70 L3MBTL1 (0.41) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 NPY5R 2786/4885ALOX5 1499/4885TDP1 743/4885

“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.