SCHEMBL29512299

SCHEMBL29512299

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Br)cnc1Br

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
SSTR4 P31391 1/20 0.33
USP30 Q70CQ3 1/20 0.33
BACE1 P56817 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
SCHEMBL26662783 1.00 PDPK1 (0.33) PDPK1SSTR4USP30BACE1
SCHEMBL25351955 0.93 SSTR4 (0.32) PDPK1SSTR4USP30BACE1
SCHEMBL2386488 0.89 SSTR4 (0.34) PDPK1SSTR4USP30BACE1
SCHEMBL29837499 0.87 MAPKAPK2 (0.36) PDPK1SSTR4USP30BACE1
SCHEMBL16926331 0.87 MAPKAPK2 (0.36) PDPK1SSTR4USP30BACE1
SCHEMBL29726264 0.85 PDPK1 (0.34) PDPK1SSTR4USP30BACE1
SCHEMBL16848701 0.85 PDPK1 (0.34) PDPK1SSTR4USP30BACE1
SCHEMBL20839302 0.84 PDPK1 (0.35) PDPK1SSTR4USP30
SCHEMBL22958315 0.82 PDPK1 (0.34) PDPK1SSTR4USP30BACE1
SCHEMBL29726252 0.82 PDPK1 (0.34) PDPK1SSTR4USP30BACE1

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-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-23 US disclosed
EP-4225737-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076628-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PDPK1 1644/4885SSTR4 3138/4885USP30 3021/4885

“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.