SCHEMBL6736935

SCHEMBL6736935

COc1ccc(CC(=O)N(C)[C@@H](C(=O)NO)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.49
▸ MMP9 P14780 6/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MMP13 P45452 6/20 0.48
▸ MMP8 P22894 5/20 0.48
▸ HTT P42858 1/20 0.47
▸ ANPEP P15144 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KLK7 P49862 2/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ BMP1 P13497 1/20 0.43

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
SCHEMBL6744158 0.86 BMP1 (0.50) HTTANPEPALDH1A1KLK7SIGMAR1
SCHEMBL6740997 0.83 ALOX5 (0.62) MMP2MMP9MMP13MMP8ALOX5
SCHEMBL6741455 0.81 MMP2 (0.47) MMP2MMP9MMP13MMP8MMP1
SCHEMBL6742063 0.74 MAPT (0.42) HTT
SCHEMBL6744404 0.73 MMP2 (0.46) MMP2MMP9CA1CA2CA9
SCHEMBL6744410 0.73 MMP2 (0.46) MMP2MMP9CA1CA2CA9
SCHEMBL755827 0.73 HTT (0.59) HTTALDH1A1SIGMAR1ALOX5
SCHEMBL6502002 0.72 MMP13 (0.67) MMP2MMP9CA1CA2CA9
SCHEMBL7451146 0.71 MMP2 (0.64) MMP2MMP9CA1CA2CA9
SCHEMBL1708481 0.70 HTT (0.56) HTTALDH1A1SIGMAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 — — US claimed
JP-2002541138-A — — 2002-12-03 — — JP claimed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 — — EP claimed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — WO claimed
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 MMP2 7/4885MMP9 6/4885CA1 132/4885

“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.

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