SCHEMBL2789415

SCHEMBL2789415

CCc1cc(S(=O)(=O)C(F)(F)F)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.63
HRH4 Q9H3N8 10/20 0.50
ESPL1 Q14674 1/20 0.46
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
PTPRZ1 P23471 1/20 0.39
EPAS1 Q99814 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
SCHEMBL2788799 0.89 LMNA (0.62) ALDH1A1LMNAHRH4ESPL1HTT
SCHEMBL561582 0.80 ALDH1A1 (0.52) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL30370886 0.80 ALDH1A1 (1.00) ALDH1A1LMNAESPL1HTTSMN1; SMN2
SCHEMBL1457195 0.80 ALDH1A1 (1.00) ALDH1A1LMNAESPL1HTTSMN1; SMN2
SCHEMBL10233503 0.79 MEN1 (0.54) ALDH1A1LMNAHRH4ESPL1HTT
SCHEMBL2788826 0.79 ALDH1A1 (0.70) ALDH1A1LMNAESPL1HTTSMN1; SMN2
SCHEMBL18398253 0.78 G6PD (0.56) ALDH1A1LMNAHRH4HTTSMN1; SMN2
SCHEMBL20484476 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHRH4HTTSMN1; SMN2
SCHEMBL2789413 0.78 LMNA (0.47) ALDH1A1LMNAHRH4ESPL1HTT
SCHEMBL8913002 0.77 ALDH1A1 (0.53) ALDH1A1LMNAHTTPOLBMEN1

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 10 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-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators JANSSEN PHARMACEUTICA NV (BE) 2019-01-08 US disclosed
US-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators JANSSEN PHARMACEUTICA NV (BE) 2019-01-08 US disclosed
WO-2018187652-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 WO disclosed
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 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 (3 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 899/4885LMNA 4278/4885HRH4 213/4885
US-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators HRH4, HRH3, HRH2 ALDH1A1 1641/4885LMNA 4837/4885HRH4 1/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 ALDH1A1 1641/4885LMNA 4837/4885HRH4 1/4885

“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.