SCHEMBL55921

SCHEMBL55921

CN(C)S(=O)(=O)C1CCN(C(=O)COc2ccnc3c(C(F)(F)F)cccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.39
ENPP2 Q13822 4/20 0.39
ALDH1A1 P00352 3/20 0.39
PTK2 Q05397 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
NCF1 P14598 1/20 0.37
ACKR3 P25106 1/20 0.37
SCD O00767 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL65670 0.87 KDM4E (0.41) KDM4EHPGDENPP2ALDH1A1PTK2
SCHEMBL66074 0.87 ALDH1A1 (0.42) KDM4EHPGDENPP2ALDH1A1HSD17B10
SCHEMBL66082 0.84 ENPP2 (0.41) KDM4EHPGDENPP2ALDH1A1HSD17B10
SCHEMBL65756 0.84 ALDH1A1 (0.40) KDM4EHPGDENPP2ALDH1A1PTK2
SCHEMBL57774 0.83 USP2 (0.44) KDM4EHPGDENPP2ALDH1A1SCD
SCHEMBL66515 0.80 USP2 (0.41) ENPP2ALDH1A1SCDLMNAHTT
SCHEMBL14683241 0.76 ENPP2 (0.53) KDM4EHPGDENPP2ALDH1A1HSD17B10
SCHEMBL15393601 0.74 ENPP2 (0.52) KDM4EHPGDENPP2ALDH1A1HSD17B10
SCHEMBL2626334 0.74 SCN9A (0.42)
SCHEMBL12718831 0.74 ENPP2 (0.51) KDM4EHPGDENPP2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
WO-2007050522-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-03 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-20070203122-A1 Derivatives for modulation of ion channels TRPV1, TRPA1, TRPV2 KDM4E 3285/4885HPGD 1667/4885ENPP2 463/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 KDM4E 3285/4885HPGD 1667/4885ENPP2 463/4885

“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.