SCHEMBL2790337

SCHEMBL2790337

Cc1c([S+]([O-])Cc2ccccc2)cc(C(C)(C)C)c(O)c1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 11/20 0.40
PDK2 Q15119 11/20 0.40
PDK3 Q15120 11/20 0.40
PDK4 Q16654 11/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CA9 Q16790 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL2788095 0.89 MEN1 (0.39) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2790452 0.87 PDK1 (0.40) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2788756 0.86 MEN1 (0.43) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2789327 0.85 MEN1 (0.42) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2787848 0.85 PDK1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2788092 0.84 MEN1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2788698 0.84 CA1 (0.39) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2791245 0.83 MEN1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL13475315 0.83 KMT2A (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2787063 0.82 CA2 (0.47) 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 8 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
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US disclosed
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.