SCHEMBL22403089

SCHEMBL22403089

CC(C)(C)n1ccc(Br)cc1=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
S100A4 P26447 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 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
SCHEMBL16019366 0.77 ALDH1A1 (0.39) HSP90AA1CA12CA1CA9MEN1
SCHEMBL22402990 0.75 CA12 (0.38) S100A4CA12CA1CA9MEN1
SCHEMBL10205288 0.75 HDAC4 (0.41) CA12CA1CA9MEN1KMT2A
SCHEMBL16019374 0.72 CA2 (0.39) MEN1KMT2AGAA
SCHEMBL16019333 0.72 KDM4E (0.32) MEN1KMT2AGAA
SCHEMBL590804 0.71
SCHEMBL22867366 0.71 CASP3 (0.37) CA1GAA
SCHEMBL27189696 0.69
SCHEMBL16553415 0.68
SCHEMBL12376772 0.67 KMT2A (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-20220211802-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2022-07-07 US disclosed
US-11331369-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2022-05-17 US disclosed
US-20200282016-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2020-09-10 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 (4 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-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 HSP90AA1 1875/4885TLR9 3014/4885S100A4 3796/4885
US-20200282016-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 HSP90AA1 1875/4885TLR9 3014/4885S100A4 3796/4885
US-20220211802-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 HSP90AA1 1875/4885TLR9 3014/4885S100A4 3796/4885
US-11331369-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 HSP90AA1 1875/4885TLR9 3014/4885S100A4 3796/4885

“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.