SCHEMBL5898128

SCHEMBL5898128

O=C(N[C@@H]1CCC[C@@H]1C(=O)NO)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.67
▸ MMP7 P09237 1/20 0.67
▸ MMP9 P14780 1/20 0.67
▸ MMP13 P45452 1/20 0.67
▸ ADAM17 P78536 3/20 0.55
▸ EZH2 Q15910 1/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ USP30 Q70CQ3 2/20 0.46

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
SCHEMBL5898076 0.88 EZH2 (0.54) MMP2MMP7MMP9MMP13ADAM17
SCHEMBL5897966 0.86 ADAM17 (0.55) MMP2MMP7MMP9MMP13ADAM17
SCHEMBL5898171 0.86 EZH2 (0.53) MMP2MMP7MMP9MMP13ADAM17
SCHEMBL5897928 0.86 ADAM17 (0.58) MMP2MMP7MMP9MMP13ADAM17
SCHEMBL5898184 0.85 ADAM17 (0.56) MMP2MMP7MMP9MMP13ADAM17
SCHEMBL5898318 0.84 MMP2 (0.48) MMP2MMP7MMP9MMP13ADAM17
SCHEMBL5898398 0.78 ADAM17 (0.51) ADAM17
SCHEMBL6836251 0.77 ADAM17 (0.57) MMP7ADAM17
SCHEMBL5898241 0.77 ADAM17 (0.57) MMP7ADAM17
SCHEMBL1757228 0.76 MMP2 (0.54) MMP2MMP7MMP9MMP13ADAM17

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 6 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-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-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 8/4885MMP7 21/4885MMP9 4/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP MMP2 8/4885MMP7 21/4885MMP9 4/4885

“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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