SCHEMBL21979997

SCHEMBL21979997

C[C@@H]1C=C(OS(=O)(=O)C(F)(F)F)C[C@@H](C)N1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
DRD2 P14416 5/20 0.35
DRD4 P21917 4/20 0.35
DRD3 P35462 4/20 0.35
DRD1 P21728 3/20 0.35
DRD5 P21918 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL21979861 1.00 PDK1 (0.36) PDK1PDK2PDK3PDK4DRD2
SCHEMBL21979859 1.00 PDK1 (0.36) PDK1PDK2PDK3PDK4DRD2
SCHEMBL521041 0.78 DRD2 (0.36) DRD2DRD4DRD3DRD1DRD5
SCHEMBL17304077 0.75 KMT2A (0.34) DRD2DRD4DRD3DRD1DRD5
SCHEMBL19837135 0.74 DRD2 (0.37) PDK1PDK2PDK3PDK4DRD2
SCHEMBL28731155 0.74 CXCR2 (0.31) DRD2DRD4DRD3DRD1DRD5
SCHEMBL12544767 0.74 CXCR2 (0.31) DRD2DRD4DRD3DRD1DRD5
SCHEMBL17483552 0.73 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL13849983 0.72 DRD2 (0.36) PDK1PDK2PDK3PDK4DRD2
SCHEMBL4296382 0.72 PDK1 (0.43) PDK1PDK2PDK3PDK4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384789-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
CN-111065626-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-09-27 CN disclosed
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP disclosed
EP-4151627-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-03-22 EP disclosed
US-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2022-08-11 US disclosed
US-11407753-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2020-05-28 US disclosed
CN-111065626-A Compounds for the treatment of huntington's chorea PTC医疗公司 2020-04-24 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 (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-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH PDK1 1180/4885PDK2 690/4885PDK3 1223/4885
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH PDK1 1180/4885PDK2 690/4885PDK3 1223/4885
US-11407753-B2 Compounds for treating Huntington's disease HTT, HYPK, FH PDK1 1180/4885PDK2 690/4885PDK3 1223/4885
US-12384789-B2 Compounds for treating Huntington's disease HTT, HYPK, FH PDK1 1180/4885PDK2 690/4885PDK3 1223/4885

“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.