SCHEMBL29281158

SCHEMBL29281158

COC(=O)[C@@](C)(O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PDK1 Q15118 13/20 0.43
PDK2 Q15119 13/20 0.43
PDK3 Q15120 13/20 0.43
PDK4 Q16654 13/20 0.43
DGAT1 O75907 1/20 0.41
GAA P10253 1/20 0.36

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
SCHEMBL361851 1.00 ALDH1A1 (0.44) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL4075908 1.00 ALDH1A1 (0.44) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL14152581 0.83 DGAT1 (0.48) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL19529547 0.79 PDK1 (0.37) PDK1PDK2PDK3PDK4
SCHEMBL27673892 0.79 PDK1 (0.35) PDK1PDK2PDK3PDK4
SCHEMBL31058002 0.78
SCHEMBL28035795 0.78
SCHEMBL11034219 0.76 DGAT1 (0.42) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL12761004 0.76 DGAT1 (0.42) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL776194 0.76 DGAT1 (0.42) ALDH1A1PDK1PDK2PDK3PDK4

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-20240294512-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-09-05 US disclosed
EP-4347033-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP 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
WO-2022256842-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 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-20240294512-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS TRPV1, NHERF1, HCN4 ALDH1A1 559/4885PDK1 3606/4885PDK2 3958/4885

“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.