SCHEMBL2790885

SCHEMBL2790885

CC(C)c1c(S(C)(=O)=O)cc(C(C)(C)C)c(O)c1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 13/20 0.44
PDK2 Q15119 13/20 0.44
PDK3 Q15120 13/20 0.44
PDK4 Q16654 13/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.39
SMO Q99835 1/20 0.36
CNR2 P34972 1/20 0.35
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL2789521 0.88 PDK1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2790724 0.87 PDK1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2789023 0.87 MEN1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2786902 0.87 MEN1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2787294 0.86 MEN1 (0.50) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2789445 0.85 PDK1 (0.44) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2787774 0.84 MEN1 (0.44) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2790362 0.83 MEN1 (0.42) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2789001 0.83 MEN1 (0.45) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2791245 0.82 MEN1 (0.46) PDK1PDK2PDK3PDK4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US claimed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 EP claimed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 WO claimed
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US disclosed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 EP disclosed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A PDK1 2839/4885PDK2 3076/4885PDK3 2367/4885

“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.