SCHEMBL17010334

SCHEMBL17010334

CCOc1cc(OS(=O)(=O)C(F)(F)F)c(C=O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ERN1 O75460 2/20 0.39
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
XBP1 P17861 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPAS1 Q99814 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL17010228 0.85 ALDH1A1 (0.45) LMNAERN1KDM4ECYP1A2CYP2C19
SCHEMBL29771746 0.81 LMNA (0.51) LMNAERN1KDM4ECYP1A2CYP2C19
SCHEMBL29246798 0.81 LMNA (0.51) LMNAERN1KDM4ECYP1A2CYP2C19
SCHEMBL28863798 0.79 LMNA (0.36) LMNAALDH1A1TSHRMAPTPOLB
SCHEMBL15057108 0.79 EPAS1 (0.35) ALDH1A1EPAS1
SCHEMBL454873 0.78 LMNA (0.41) LMNAERN1CYP1A2CYP2C19ALDH1A1
SCHEMBL29574139 0.78 EPAS1 (0.36) EPAS1
SCHEMBL26555101 0.78 DPP4 (0.38) ERN1EPAS1
SCHEMBL3159310 0.77 LMNA (0.44) LMNACYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL20720974 0.76 CD274 (0.63) PDCD1CD274

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
EP-3107921-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES Syngenta Participations AG (CH) 2016-12-28 EP disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
WO-2015121442-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 WO disclosed
WO-2015121442-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 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-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA LMNA 2186/4885ERN1 3441/4885KDM4E 3443/4885
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA LMNA 2186/4885ERN1 3441/4885KDM4E 3443/4885
US-10040806-B2 Microbiocidally active benzoxaboroles MPO, BROX, MANBA LMNA 2186/4885ERN1 3441/4885KDM4E 3443/4885

“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.