SCHEMBL6741789

SCHEMBL6741789

COC(=O)[C@@H](C)N(C)C(=O)C(CC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.46
PRKCD Q05655 2/20 0.46
ALOX5 P09917 1/20 0.44
LTA4H P09960 2/20 0.44
MAOB P27338 2/20 0.44
NPY5R Q15761 1/20 0.44
NOX1 Q9Y5S8 1/20 0.42
ACACB O00763 1/20 0.41
FFAR1 O14842 1/20 0.41
YAP1 P46937 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6741799 1.00 PRKCA (0.46) PRKCAPRKCDALOX5LTA4HMAOB
SCHEMBL6740435 0.86 PSEN1 (0.42) MAOBFFAR1
SCHEMBL6740432 0.86 PSEN1 (0.42) MAOBFFAR1
SCHEMBL6741354 0.84 ESR1 (0.45) L3MBTL1
SCHEMBL7377813 0.84 ESR1 (0.45) L3MBTL1
SCHEMBL6741347 0.84 ESR1 (0.45) L3MBTL1
SCHEMBL6741352 0.84 ESR1 (0.45) L3MBTL1
SCHEMBL6976981 0.82 FFAR1 (0.50) PRKCAPRKCDALOX5LTA4HMAOB
SCHEMBL6976976 0.82 FFAR1 (0.50) PRKCAPRKCDALOX5LTA4HMAOB
SCHEMBL6740442 0.81 ALOX5 (0.53) PRKCAPRKCDALOX5LTA4HMAOB

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 PRKCA 4160/4885PRKCD 4676/4885ALOX5 1499/4885

“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.