SCHEMBL6738992

SCHEMBL6738992

Cc1cc(COc2ccc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C(=O)NO)cc2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.62
MMP2 P08253 3/20 0.59
MMP13 P45452 1/20 0.59
MMP9 P14780 2/20 0.55
MMP12 P39900 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL6835117 0.96 ADAM17 (0.59) ADAM17MMP2MMP13MMP9MMP12
SCHEMBL6835118 0.90 ADAM17 (0.53) ADAM17MMP2MMP13MMP9MMP12
SCHEMBL6741074 0.84 ADAM17 (0.68) ADAM17
SCHEMBL6739968 0.83 ADAM17 (0.62) ADAM17MMP13
SCHEMBL6741079 0.81 ADAM17 (0.62) ADAM17
Trifluoroacetic Acid SCHEMBL6736529 0.81 ADAM17 (0.62) ADAM17
SCHEMBL6597130 0.81 ADAM17 (0.62) ADAM17MMP2
SCHEMBL6804255 0.81 ADAM17 (0.61) ADAM17MMP2
Trifluoroacetic Acid SCHEMBL6736923 0.81 ADAM17 (0.57) ADAM17MMP13
SCHEMBL6598627 0.79 ADAM17 (0.84) ADAM17MMP2MMP13

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 8 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
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US 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

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 ADAM17 11/4885MMP2 7/4885MMP13 13/4885

“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.