SCHEMBL5898237

SCHEMBL5898237

Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)C(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.85
MMP9 P14780 2/20 0.84
MMP3 P08254 1/20 0.74
MMP7 P09237 1/20 0.74
MMP10 P09238 1/20 0.74
MMP8 P22894 1/20 0.74
MMP12 P39900 1/20 0.74
MMP13 P45452 1/20 0.74
MMP14 P50281 1/20 0.74
ADAM17 P78536 1/20 0.74

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 SCHEMBL5898015 0.96 MMP2 (0.78) MMP2MMP9MMP3MMP7MMP10
SCHEMBL5897854 0.93 MMP2 (0.89) MMP2MMP9MMP3MMP7MMP10
SCHEMBL7542099 0.93 MMP2 (0.89) MMP2MMP9MMP3MMP7MMP10
SCHEMBL5898139 0.93 MMP2 (0.89) MMP2MMP9MMP3MMP7MMP10
SCHEMBL5897938 0.93 MMP2 (0.89) MMP2MMP9MMP3MMP7MMP10
SCHEMBL7542072 0.93 MMP2 (0.89) MMP2MMP9MMP3MMP7MMP10
SCHEMBL7542064 0.93 MMP2 (0.89) MMP2MMP9MMP3MMP7MMP10
SCHEMBL5898183 0.93 MMP2 (0.89) MMP2MMP9MMP3MMP7MMP10
SCHEMBL7435467 0.92 MMP2 (1.00) MMP2MMP9MMP3MMP7MMP10
SCHEMBL5898234 0.92 MMP2 (1.00) MMP2MMP9MMP3MMP7MMP10

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-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha LU ZHONGHUI (US) 2004-08-19 US claimed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US claimed
EP-1263755-A2 CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP claimed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US claimed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO claimed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha LU ZHONGHUI (US) 2004-08-19 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 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 (2 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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP MMP2 8/4885MMP9 4/4885MMP3 27/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP MMP2 8/4885MMP9 4/4885MMP3 27/4885

“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.