SCHEMBL66082

SCHEMBL66082

O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCC(S(=O)(=O)Nc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.41
SPR P35270 1/20 0.41
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.39
RBP4 P02753 1/20 0.39
HPGD P15428 1/20 0.39
SCD O00767 4/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
SYK P43405 1/20 0.37
KMT2A Q03164 1/20 0.37

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 0.90 KDM4E (0.41) ENPP2ALDH1A1KDM4ERBP4HPGD
SCHEMBL57774 0.88 USP2 (0.44) ENPP2ALDH1A1KDM4ERBP4HPGD
SCHEMBL66074 0.84 ALDH1A1 (0.42) ENPP2ALDH1A1KDM4EHPGDSCD
SCHEMBL55921 0.84 KDM4E (0.41) ENPP2ALDH1A1KDM4EHPGDSCD
SCHEMBL66515 0.84 USP2 (0.41) ENPP2ALDH1A1RBP4SCDLMNA
SCHEMBL65756 0.81 ALDH1A1 (0.40) ENPP2ALDH1A1KDM4EHPGDMAPT
SCHEMBL2626334 0.75 SCN9A (0.42)
SCHEMBL14683241 0.73 ENPP2 (0.53) ENPP2ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL1091092 0.73 KDM4E (0.49) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL15393601 0.72 ENPP2 (0.52) ENPP2ALDH1A1L3MBTL1KDM4EHPGD

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 8 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-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-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

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 ENPP2 463/4885SPR 3730/4885ALDH1A1 3010/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 ENPP2 463/4885SPR 3730/4885ALDH1A1 3010/4885

“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.