SCHEMBL6744404

SCHEMBL6744404

COc1ccc(C2(C(=O)N(C)[C@@H](C(=O)NO)C(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 8/20 0.46
▸ MMP9 P14780 7/20 0.46
▸ MMP1 P03956 2/20 0.46
▸ EP300 Q09472 2/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MMP13 P45452 7/20 0.42
▸ MMP8 P22894 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL6744410 1.00 MMP2 (0.46) MMP2MMP9MMP1EP300CA1
SCHEMBL6744138 0.86 HSD11B1 (0.43) MMP2MMP9MMP1EP300MMP13
SCHEMBL6744143 0.86 HSD11B1 (0.43) MMP2MMP9MMP1EP300MMP13
SCHEMBL6739879 0.85 HDAC4 (0.46) ALDH1A1SMN1; SMN2NCOA1AVPR1AMAPT
SCHEMBL6739882 0.85 HDAC4 (0.46) ALDH1A1SMN1; SMN2NCOA1AVPR1AMAPT
SCHEMBL6736774 0.85 HDAC4 (0.43) MMP2MMP9MMP1CA1CA2
SCHEMBL6736770 0.85 HDAC4 (0.43) MMP2MMP9MMP1CA1CA2
SCHEMBL6744986 0.81 HDAC4 (0.50) NCOA1AVPR1AMAPT
SCHEMBL6744990 0.81 HDAC4 (0.50) NCOA1AVPR1AMAPT
SCHEMBL6742036 0.81 HDAC4 (0.53) EP300ALDH1A1SMN1; SMN2NCOA1GAA

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 6/4885MMP1 2/4885

“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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