SCHEMBL29281137

SCHEMBL29281137

COC1=C(Br)C(=O)OC1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.32
POLL Q9UGP5 1/20 0.30
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL29281135 1.00 AKT1 (0.32) AKT1POLLCLK1DYRK1ADYRK1B
SCHEMBL16455005 0.77 KDM4E (0.34) AKT1POLLCLK1DYRK1ADYRK1B
SCHEMBL12920089 0.76 CDC25A (0.34) AKT1POLLCLK1DYRK1ADYRK1B
SCHEMBL20153612 0.69 APP (0.39) AKT1
SCHEMBL309435 0.64 POLL (0.32) POLL
SCHEMBL9766265 0.61 CDC25A (0.33) POLL
SCHEMBL16447238 0.58 APP (0.43)
SCHEMBL16447266 0.58 KDM4E (0.43)
SCHEMBL2534971 0.58 MKNK1 (0.33) POLL
SCHEMBL10359199 0.58

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-20240294512-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-09-05 US disclosed
CN-117858875-A Hydroxy-and (halo) alkoxy-substituted tetrahydrofurans as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-09 CN 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-20240294512-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS TRPV1, NHERF1, HCN4 AKT1 3474/4885POLL 4663/4885CLK1 4256/4885

“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.