SCHEMBL2789420

SCHEMBL2789420

CC(C)(C)Oc1cc(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2Cl)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDK1 Q15118 7/20 0.43
PDK2 Q15119 7/20 0.43
PDK3 Q15120 7/20 0.43
PDK4 Q16654 7/20 0.43
BCL2L1 Q07817 1/20 0.42
P2RX1 P51575 1/20 0.38
CNR2 P34972 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
SMO Q99835 1/20 0.37
STK39 Q9UEW8 1/20 0.37
HTR2A P28223 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
SCHEMBL2789385 0.91 MEN1 (0.44) MEN1KMT2APDK1PDK2PDK3
SCHEMBL2788404 0.86 MEN1 (0.46) MEN1KMT2APDK1PDK2PDK3
SCHEMBL2787082 0.86 MEN1 (0.46) MEN1KMT2APDK1PDK2PDK3
SCHEMBL2786925 0.85 BCL2L1 (0.48) MEN1KMT2APDK1PDK2PDK3
SCHEMBL2788113 0.85 MEN1 (0.43) MEN1KMT2APDK1PDK2PDK3
SCHEMBL13475609 0.83 MEN1 (0.46) MEN1KMT2APDK1PDK2PDK3
SCHEMBL13475276 0.83 MEN1 (0.43) MEN1KMT2APDK1PDK2PDK3
SCHEMBL13475274 0.82 MEN1 (0.43) MEN1KMT2APDK1PDK2PDK3
SCHEMBL2787294 0.81 MEN1 (0.50) MEN1KMT2APDK1PDK2PDK3
SCHEMBL13475254 0.81 BCL2L1 (0.45) MEN1KMT2APDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4083/4885KMT2A 3302/4885PDK1 2839/4885

“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.