SCHEMBL2789445

SCHEMBL2789445

CCc1c(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 12/20 0.44
PDK2 Q15119 12/20 0.44
PDK3 Q15120 12/20 0.44
PDK4 Q16654 12/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 1/20 0.39
NR1H4 Q96RI1 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 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
SCHEMBL2788804 0.92 MEN1 (0.44) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2789521 0.88 PDK1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2787631 0.87 MEN1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2791361 0.87 PDK1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2788129 0.87 MEN1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2787294 0.86 MEN1 (0.50) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2790885 0.85 PDK1 (0.44) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2787739 0.85 MEN1 (0.45) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2791245 0.82 MEN1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2786864 0.82 MEN1 (0.51) 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.