SCHEMBL2789413

SCHEMBL2789413

CCc1cc(S(=O)(=O)C(F)(F)F)ccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.46
EPAS1 Q99814 2/20 0.45
HRH4 Q9H3N8 7/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.42
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESPL1 Q14674 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
SYK P43405 1/20 0.39
POLB P06746 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37

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
SCHEMBL2788797 0.90 LMNA (0.47) LMNAALDH1A1EPAS1HRH4MEN1
SCHEMBL2720494 0.86 FLT1 (0.40) LMNAALDH1A1EPAS1HRH4HTT
SCHEMBL2788821 0.81 ALDH1A1 (0.49) LMNAALDH1A1EPAS1MEN1KMT2A
SCHEMBL2787612 0.78 EPAS1 (0.53) LMNAALDH1A1EPAS1MEN1KMT2A
SCHEMBL2789415 0.78 ALDH1A1 (0.66) LMNAALDH1A1EPAS1HRH4MEN1
SCHEMBL5892015 0.77 LMNA (0.63) LMNAALDH1A1EPAS1MEN1KMT2A
SCHEMBL3111158 0.76 ALDH1A1 (0.69) LMNAALDH1A1EPAS1MEN1KMT2A
SCHEMBL15147631 0.75 ALDH1A1 (0.49) LMNAALDH1A1EPAS1MEN1KMT2A
SCHEMBL2789621 0.75 EPAS1 (0.46) LMNAALDH1A1EPAS1MEN1KMT2A
SCHEMBL10233503 0.74 MEN1 (0.54) LMNAALDH1A1EPAS1HRH4MEN1

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 LMNA 4278/4885ALDH1A1 899/4885EPAS1 2756/4885

“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.