SCHEMBL6101593

SCHEMBL6101593

O=c1[nH]cc(CSc2ccc(O)cc2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ DAO P14920 3/20 0.40

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
SCHEMBL4566130 0.84 DAO (0.43) DAO
SCHEMBL5419898 0.81 DAO (0.53) GAADAO
SCHEMBL4346481 0.74 DPYD (0.45) GAA
SCHEMBL4344338 0.74 DPYD (0.45) GAA
SCHEMBL28417137 0.72 GAA (0.46) GAA
SCHEMBL4353311 0.71 DPYD (0.50) GAA
SCHEMBL4495952 0.71 ATAD2 (0.47) GAA
SCHEMBL4519523 0.70 KMT2A (0.42) —
SCHEMBL4356407 0.68 ATAD2 (0.44) —
SCHEMBL44459 0.68 GAA (0.52) GAA

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-7101883-B2 Uracil derivatives as inhibitors of TNF-α converting enzyme (TACE) and matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 — — US disclosed
US-20030229081-A1 Uracil derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 — — 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-20030229081-A1 Uracil derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and matrix metalloproteinases UNG, IDUA, TNF GAA 33/4885DAO 189/4885

“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.

Send feedback