SCHEMBL691076

SCHEMBL691076

NNC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
CA2 P00918 4/20 0.56
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CA1 P00915 2/20 0.48
KDM1A O60341 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
AOC2 O75106 1/20 0.43
EPHX2 P34913 1/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41

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
SCHEMBL3523935 0.83 POLB (0.57) CA2ALDH1A1CA1SMN1; SMN2MAPK1
SCHEMBL28687874 0.83 GAA (0.56) GAACA2ALDH1A1KDM4ECA1
SCHEMBL5432947 0.82 ALDH1A1 (0.67) GAACA2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL1353071 0.81 MAPK1 (0.57) CA2ALDH1A1KDM4ECA1SMN1; SMN2
SCHEMBL14038512 0.81 CA2 (0.51) GAACA2ALDH1A1CA1KDM1A
SCHEMBL3792523 0.81 CA2 (0.48) GAACA2ALDH1A1CA1KDM1A
SCHEMBL29398556 0.80 ALDH1A1 (0.69) GAACA2ALDH1A1KDM4ECA1
SCHEMBL13719772 0.79 CA2 (0.52) CA2ALDH1A1CA1KDM1ASMN1; SMN2
SCHEMBL27621213 0.78 CA2 (0.51) CA2ALDH1A1CA1KDM1ASMN1; SMN2
SCHEMBL16536451 0.78 CA2 (0.51) CA2ALDH1A1CA1KDM1ASMN1; SMN2

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
EP-2560643-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2013-02-27 EP disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
EP-2421528-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2012-02-29 EP disclosed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 US disclosed
WO-2011133596-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO disclosed
WO-2010123933-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 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-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES CFTR, PKD1, PKD2 GAA 917/4885CA2 1288/4885ALDH1A1 1945/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 GAA 989/4885CA2 7/4885ALDH1A1 1498/4885

“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.