SCHEMBL2789258

SCHEMBL2789258

N#Cc1cc(S(=O)(=O)C(F)(F)F)ccc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
EPAS1 Q99814 10/20 0.50
LMNA P02545 2/20 0.50
ESPL1 Q14674 1/20 0.42
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL28069902 0.81 EPAS1 (0.56) ALDH1A1EPAS1ESPL1
SCHEMBL1700011 0.79 CA2 (0.55) ALDH1A1LMNAMEN1KMT2ACA12
SCHEMBL2789621 0.78 EPAS1 (0.46) ALDH1A1EPAS1LMNAMEN1KMT2A
SCHEMBL1457195 0.78 ALDH1A1 (1.00) ALDH1A1EPAS1LMNAESPL1POLB
SCHEMBL30370886 0.78 ALDH1A1 (1.00) ALDH1A1EPAS1LMNAESPL1POLB
SCHEMBL6869892 0.78 EPAS1 (0.54) ALDH1A1EPAS1ESPL1CA1CA2
SCHEMBL7991225 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2ACA12
SCHEMBL2577731 0.77 G6PD (0.53) EPAS1POLBMAPK1SMN1; SMN2
SCHEMBL9713868 0.75 HTR6 (0.62) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL20528299 0.74 ALDH1A1 (0.70) ALDH1A1LMNAESPL1POLBMEN1

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 9 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-20100249161-A1 2- ( 2 -HYDROXYPHENYL) -QUINAZOLIN-4-ONES USEFUL FOR TREATING OBESITY AND DIABETES HIGH POINT PHARMACEUTICALS, LLC 2010-09-30 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-2097391-A1 2- ( 2 -HYDROXYPHENYL) -QUINAZOLIN-4-ONES USEFUL FOR TREATING OBESITY AND DIABETES High Point Pharmaceuticals, LLC (US) 2009-09-09 EP disclosed
WO-2008059024-A1 2- ( 2 -HYDROXYPHENYL) -QUINAZOLIN-4-ONES USEFUL FOR TREATING OBESITY AND DIABETES HIGH POINT PHARMACEUTICALS, LLC (US) 2008-05-22 WO 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 (2 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 ALDH1A1 899/4885EPAS1 2756/4885LMNA 4278/4885
US-20100249161-A1 2- ( 2 -HYDROXYPHENYL) -QUINAZOLIN-4-ONES USEFUL FOR TREATING OBESITY AND DIABETES GPR119, PGC, FABP4 ALDH1A1 687/4885EPAS1 1237/4885LMNA 3681/4885

“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.