SCHEMBL691809

SCHEMBL691809

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 2/20 0.59
POLB P06746 3/20 0.55
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
KDM4E B2RXH2 1/20 0.53
CDC25B P30305 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
PKM P14618 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 4/20 0.51

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
SCHEMBL691500 0.83 HPGD (0.68) SMN1; SMN2LMNAKMT2AALDH1A1TSHR
SCHEMBL4823240 0.83 HPGD (0.68) SMN1; SMN2LMNAPOLBKMT2AALDH1A1
SCHEMBL3560486 0.83 POLB (0.73) SMN1; SMN2LMNAPOLBKMT2AALDH1A1
SCHEMBL14038512 0.82 CA2 (0.51) SMN1; SMN2POLBALDH1A1CA1CA2
SCHEMBL27621213 0.82 CA2 (0.51) SMN1; SMN2LMNAPOLBALDH1A1CA1
SCHEMBL134279 0.82 SMN1; SMN2 (0.62) SMN1; SMN2LMNAPOLBKMT2AALDH1A1
SCHEMBL691789 0.82 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL27183334 0.81 SMN1; SMN2 (0.65) SMN1; SMN2LMNAPOLBKMT2AALDH1A1
SCHEMBL5432947 0.80 ALDH1A1 (0.67) SMN1; SMN2POLBKMT2AALDH1A1RAB9A
SCHEMBL856142 0.80 SMN1; SMN2 (0.60) SMN1; SMN2LMNAPOLBKMT2AALDH1A1

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 SMN1; SMN2 3981/4885LMNA 4247/4885POLB 3401/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 SMN1; SMN2 697/4885LMNA 2031/4885POLB 4092/4885

“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.