SCHEMBL56182

SCHEMBL56182

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
EPHX1 P07099 1/20 0.51
GPR119 Q8TDV5 8/20 0.49
RECQL P46063 1/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PREP P48147 1/20 0.46
STS P08842 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL56449 0.91 HPGD (0.51) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL2249338 0.87 USP2 (0.53) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL190139 0.87 USP2 (0.62) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL2255397 0.86 EPHX1 (0.54) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL25193266 0.85 HPGD (0.52) HPGDEPHX1GPR119RECQLSTS
SCHEMBL21714446 0.83 RECQL (0.54) HPGDGPR119RECQLUSP2SMN1; SMN2
SCHEMBL31691598 0.83 NR1H2 (0.49) HPGDEPHX1GPR119RECQLUSP2
Methane SCHEMBL28121361 0.82 HPGD (0.54) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL189924 0.82 RECQL (0.55) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL56603 0.81 HPGD (0.53) HPGDEPHX1GPR119RECQLUSP2

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 HPGD 1667/4885EPHX1 2702/4885GPR119 585/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 HPGD 1667/4885EPHX1 2702/4885GPR119 585/4885

“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.