SCHEMBL2788698

SCHEMBL2788698

Cc1c(SCc2ccccc2)cc(C(C)(C)C)c(O)c1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
PDK1 Q15118 7/20 0.38
PDK2 Q15119 7/20 0.38
PDK3 Q15120 7/20 0.38
PDK4 Q16654 7/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA7 P43166 5/20 0.38
CA5B Q9Y2D0 5/20 0.38
CA5A P35218 4/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CA9 Q16790 7/20 0.36
CA12 O43570 6/20 0.36
CA6 P23280 4/20 0.35
CA13 Q8N1Q1 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CA4 P22748 3/20 0.35
CA3 P07451 2/20 0.35
TP53 P04637 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
SCHEMBL2787624 0.88 CA1 (0.41) CA1CA2PDK1PDK2PDK3
SCHEMBL2789068 0.87 CA1 (0.40) CA1CA2PDK1PDK2PDK3
SCHEMBL2787747 0.87 PDK1 (0.40) CA1CA2PDK1PDK2PDK3
SCHEMBL2788957 0.86 MEN1 (0.43) CA1CA2PDK1PDK2PDK3
SCHEMBL2787833 0.85 MEN1 (0.42) CA1CA2PDK1PDK2PDK3
SCHEMBL2787848 0.85 PDK1 (0.41) CA1CA2PDK1PDK2PDK3
SCHEMBL2789715 0.84 MEN1 (0.41) CA1CA2PDK1PDK2PDK3
SCHEMBL2790337 0.84 PDK1 (0.40) CA1CA2PDK1PDK2PDK3
SCHEMBL2791245 0.83 MEN1 (0.46) CA1CA2PDK1PDK2PDK3
SCHEMBL13475315 0.83 KMT2A (0.41) CA1CA2PDK1PDK2PDK3

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 CA1 4202/4885CA2 1139/4885PDK1 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.