SCHEMBL691500

SCHEMBL691500

CCOC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.68
RECQL P46063 1/20 0.68
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
NHERF1 O14745 1/20 0.58
ALDH1A1 P00352 2/20 0.56
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 3/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP3 P42574 1/20 0.54
TRPV1 Q8NER1 1/20 0.54

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
SCHEMBL7526116 0.84 HPGD (0.61) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL691809 0.83 SMN1; SMN2 (0.59) HPGDCA1CA2ALDH1A1MEN1
SCHEMBL4753529 0.81 HPGD (1.00) HPGDRECQLCA1CA2NHERF1
SCHEMBL691159 0.80 GAA (0.47) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL13869090 0.80 SMN1; SMN2 (0.59) HPGDRECQLCA1CA2SMN1; SMN2
SCHEMBL11589542 0.80 POLB (0.63) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL8864779 0.79 MAPK1 (0.51) HPGDRECQLCA1CA2SMN1; SMN2
SCHEMBL24667482 0.79 HPGD (0.72) HPGDRECQLCA1CA2NHERF1
Hydrazine SCHEMBL28785858 0.79 CA1 (0.75) HPGDRECQLCA1CA2NHERF1
SCHEMBL27183141 0.79 HPGD (0.72) HPGDRECQLCA1CA2NHERF1

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
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
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed
EP-0276101-A2 Substituted peptide derivatives ICI AMERICAS INC. (US) 1988-07-27 EP 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 HPGD 1096/4885RECQL 527/4885CA1 3753/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 HPGD 922/4885RECQL 2910/4885CA1 237/4885

“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.