SCHEMBL5435809

SCHEMBL5435809

CCc1cc(C)cc(Br)c1C1C(=O)NC2(CCC(OC)CC2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.32
APP P05067 2/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL3076232 0.92 ACACB (0.32) BACE1ACACBACACA
SCHEMBL2886584 0.89 ACACB (0.33) BACE1ACACBACACA
SCHEMBL2996875 0.87 CNR2 (0.31) ACACBACACA
SCHEMBL5432156 0.86 BACE1 (0.36) BACE1APP
SCHEMBL5437164 0.85 KMT2A (0.38)
SCHEMBL5429034 0.82 DPP4 (0.37) BACE1ACACBACACA
SCHEMBL3077698 0.79 THRB (0.37)
SCHEMBL1943774 0.77 BACE1 (0.37) BACE1ACACBACACA
SCHEMBL2072081 0.77 BACE1 (0.37) BACE1ACACBACACA
SCHEMBL5458693 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
EP-1697321-A1 2-HALOGEN-6-ALKYL-PHENYL SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES Bayer CropScience AG (DE) 2006-09-06 EP disclosed
WO-2005044796-A1 2-HALOGEN-6-ALKYL-PHENYL SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-19 WO 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-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 BACE1 4650/4885APP 4377/4885ACACB 936/4885

“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.