SCHEMBL6744392

SCHEMBL6744392

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

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.55
MAOB P27338 2/20 0.51
NPY5R Q15761 1/20 0.51
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
ACACB O00763 1/20 0.48
FFAR1 O14842 1/20 0.48
LTA4H P09960 1/20 0.48
EGFR P00533 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6744398 1.00 ALOX5 (0.55) ALOX5MAOBNPY5RPRKCAPRKCD
SCHEMBL6740438 0.90 ALOX5 (0.53) ALOX5MAOBNPY5RPRKCAPRKCD
SCHEMBL6740442 0.90 ALOX5 (0.53) ALOX5MAOBNPY5RPRKCAPRKCD
SCHEMBL6739031 0.88 ALOX5 (0.51) ALOX5MAOBNPY5RACACBLTA4H
SCHEMBL6737249 0.86 PARP10 (0.49) ALOX5MAOBNPY5RFFAR1
SCHEMBL6737245 0.86 PARP10 (0.49) ALOX5MAOBNPY5RFFAR1
SCHEMBL6737247 0.86 PARP10 (0.49) ALOX5MAOBNPY5RFFAR1
SCHEMBL2885897 0.83 ALOX5 (0.62) ALOX5MAOBACACBFFAR1LTA4H
Hydrochloric Acid SCHEMBL6948842 0.82 ALOX5 (0.60) ALOX5MAOBACACBFFAR1LTA4H
SCHEMBL8833698 0.81 ALOX5 (0.62) ALOX5MAOBACACBFFAR1LTA4H

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 ALOX5 1499/4885MAOB 1260/4885NPY5R 2786/4885

“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.