SCHEMBL2789440

SCHEMBL2789440

CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.48
CA1 P00915 5/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA9 Q16790 2/20 0.47
PDK1 Q15118 7/20 0.44
PDK2 Q15119 7/20 0.44
PDK3 Q15120 7/20 0.44
PDK4 Q16654 7/20 0.44
NR1H4 Q96RI1 3/20 0.42
P2RX1 P51575 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.39
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL2786864 0.93 MEN1 (0.51) CA2CA1MEN1KMT2ACA9
SCHEMBL2787749 0.91 MEN1 (0.46) CA2CA1MEN1KMT2ACA9
SCHEMBL2787294 0.90 MEN1 (0.50) CA2CA1MEN1KMT2ACA9
SCHEMBL2787774 0.90 MEN1 (0.44) CA2CA1MEN1KMT2ACA9
SCHEMBL2787739 0.89 MEN1 (0.45) CA2CA1MEN1KMT2ACA9
SCHEMBL2788787 0.88 KMT2A (0.44) CA2CA1MEN1KMT2ACA9
SCHEMBL2787063 0.88 CA2 (0.47) CA2CA1MEN1KMT2ACA9
SCHEMBL2791245 0.86 MEN1 (0.46) CA2CA1MEN1KMT2ACA9
SCHEMBL2786893 0.85 CA2 (0.49) CA2CA1MEN1KMT2ACA9
SCHEMBL2786909 0.85 CA1 (0.44) CA2CA1MEN1KMT2ACA9

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 CA2 1139/4885CA1 4202/4885MEN1 4083/4885

“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.