SCHEMBL5897844

SCHEMBL5897844

O=C(N[C@@H]1CCC[C@@H]1C(=O)NO)c1ccc(C2CC(c3cccnc3)=NO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL5897845 1.00 ADAM17 (0.42) ADAM17KDM4EGAAPOLBALDH1A1
SCHEMBL5897842 1.00 ADAM17 (0.42) ADAM17KDM4EGAAPOLBALDH1A1
SCHEMBL7440836 0.93 ADAM17 (0.39) ADAM17KDM4EGAAPOLB
SCHEMBL5898270 0.90 ADAM17 (0.49) ADAM17CA1CA2
SCHEMBL5898266 0.90 ADAM17 (0.49) ADAM17CA1CA2
SCHEMBL5898276 0.90 ADAM17 (0.49) ADAM17CA1CA2
SCHEMBL5898424 0.89 ADAM17 (0.42) ADAM17CA1CA2
SCHEMBL5898418 0.89 ADAM17 (0.42) ADAM17CA1CA2
SCHEMBL5898420 0.89 ADAM17 (0.42) ADAM17CA1CA2
SCHEMBL5897910 0.87 ADAM17 (0.42) ADAM17POLBCA1CA2CYP1A2

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 ADAM17 18/4885KDM4E 3698/4885GAA 1664/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ADAM17 18/4885KDM4E 3698/4885GAA 1664/4885

“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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