SCHEMBL5898554

SCHEMBL5898554

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

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.55

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
SCHEMBL5897963 0.88 ADAM17 (0.56) ADAM17
SCHEMBL5898408 0.88 ADAM17 (0.58) ADAM17
SCHEMBL5897751 0.88 ADAM17 (0.56) ADAM17
SCHEMBL5898224 0.87 ADAM17 (0.54) ADAM17
Trifluoroacetic Acid SCHEMBL5898551 0.80 ADAM17 (0.70) ADAM17
SCHEMBL5898072 0.77 ADAM17 (0.77) ADAM17
SCHEMBL5898066 0.77 ADAM17 (0.77) ADAM17
SCHEMBL5897889 0.77 ADAM17 (0.61) ADAM17
SCHEMBL6101846 0.76 ADAM17 (0.49) ADAM17
SCHEMBL5866668 0.76 ADAM17 (0.52) 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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ADAM17 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.