SCHEMBL5898264

SCHEMBL5898264

Cc1cc(Cn2ccc3cc(C(=O)NC4CCCC4C(=O)NOC(=O)C(F)(F)F)ccc32)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.54
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP10 P09238 1/20 0.44
PPARG P37231 1/20 0.44

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 SCHEMBL5898257 0.90 ADAM17 (0.64) ADAM17MMP3MMP7MMP10
SCHEMBL5898555 0.89 ADAM17 (0.53) ADAM17MMP3MMP7MMP10
SCHEMBL5898141 0.88 ADAM17 (0.69) ADAM17MMP3MMP7MMP10
SCHEMBL5897925 0.87 ADAM17 (0.48) ADAM17MMP3MMP7MMP10
SCHEMBL5898049 0.83 ADAM17 (0.60) ADAM17
SCHEMBL5898039 0.83 ADAM17 (0.60) ADAM17
SCHEMBL5898028 0.83 ADAM17 (0.60) ADAM17
SCHEMBL5898109 0.81 ADAM17 (0.60) ADAM17
SCHEMBL7487530 0.81 ADAM17 (0.67) ADAM17MMP3MMP7MMP10
SCHEMBL6594329 0.80 PPARG (0.46) PPARG

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 4 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 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 ADAM17 18/4885MMP3 27/4885MMP7 21/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ADAM17 18/4885MMP3 27/4885MMP7 21/4885

“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.