SCHEMBL5898101

SCHEMBL5898101

O=C(N[C@@H]1CCC[C@@H]1C(=O)NO)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ ADAM17 P78536 4/20 0.51
▸ USP30 Q70CQ3 1/20 0.46
▸ ROCK2 O75116 2/20 0.43
▸ CYP46A1 Q9Y6A2 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ GFER P55789 1/20 0.42

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 SCHEMBL5897977 0.92 ADAM17 (0.48) HDAC1HDAC6ADAM17USP30CYP46A1
SCHEMBL5897928 0.87 ADAM17 (0.58) HDAC1HDAC6ADAM17
SCHEMBL5898187 0.82 ADAM17 (0.54) ADAM17
SCHEMBL5898424 0.82 ADAM17 (0.42) HDAC1HDAC6ADAM17
SCHEMBL5897910 0.82 ADAM17 (0.42) ADAM17
SCHEMBL5897915 0.82 ADAM17 (0.42) ADAM17
SCHEMBL5898418 0.82 ADAM17 (0.42) HDAC1HDAC6ADAM17
SCHEMBL5897907 0.82 ADAM17 (0.42) ADAM17
SCHEMBL5898420 0.82 ADAM17 (0.42) HDAC1HDAC6ADAM17
SCHEMBL5898479 0.79 ADAM17 (0.54) ADAM17

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 HDAC1 835/4885HDAC6 2524/4885ADAM17 18/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP HDAC1 835/4885HDAC6 2524/4885ADAM17 18/4885

“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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