SCHEMBL5898044

SCHEMBL5898044

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

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.76

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 SCHEMBL5898051 0.95 MMP2 (0.70) MMP2
SCHEMBL5897756 0.94 MMP2 (0.76) MMP2
SCHEMBL5898256 0.94 MMP2 (0.76) MMP2
SCHEMBL5898448 0.93 MMP2 (0.82) MMP2
SCHEMBL7541292 0.91 MMP2 (0.74) MMP2
SCHEMBL5898112 0.91 ADAM17 (0.76) MMP2
SCHEMBL5898078 0.91 MMP2 (0.74) MMP2
SCHEMBL7541276 0.91 MMP2 (0.74) MMP2
SCHEMBL7541268 0.91 MMP2 (0.74) MMP2
SCHEMBL5898238 0.91 MMP2 (0.74) MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US claimed
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 US 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
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-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 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-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 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 (4 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 8/4885
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents TNF, PTGS1, MIF MMP2 46/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP MMP2 8/4885
US-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings TNF, MIF, MMP12 MMP2 53/4885

“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.