SCHEMBL24826953

SCHEMBL24826953

COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(S(C)(=O)=O)[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 1.00
BCAT2 O15382 9/20 0.71

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
SCHEMBL29779270 1.00 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24826954 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779305 0.90 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779287 0.89 BCAT1 (0.80) BCAT1BCAT2
SCHEMBL23163266 0.89 BCAT1 (0.80) BCAT1BCAT2
SCHEMBL24824150 0.85 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779256 0.85 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779257 0.85 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24824207 0.84 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL29779299 0.84 BCAT1 (1.00) BCAT1BCAT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 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-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES DPYD, TYMP, TYMS BCAT1 2999/4885BCAT2 3754/4885

“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.