SCHEMBL55978

SCHEMBL55978

CC(C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)n1ccc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SPR P35270 1/20 0.39
KMT2A Q03164 2/20 0.38
RAD52 P43351 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PKM P14618 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
SCHEMBL65741 0.94 TP53 (0.39) TP53ALDH1A1HTTPOLBGAA
SCHEMBL57124 0.84 NPY5R (0.38) TP53PKM
SCHEMBL57010 0.82 TRPV1 (0.38) KMT2A
SCHEMBL65781 0.79 NPY5R (0.40) ALDH1A1POLBHPGDKMT2ASIGMAR1
SCHEMBL56679 0.78 UCHL1 (0.39) KMT2A
SCHEMBL9036962 0.76 GAA (0.54) ALDH1A1HTTGAAMAPTHPGD
SCHEMBL65669 0.76 NPY5R (0.39) ALDH1A1POLBKMT2ASIGMAR1
SCHEMBL2625922 0.68 SCN9A (0.43) ALDH1A1HPGD
SCHEMBL10310848 0.68 SCN9A (0.43)
SCHEMBL10203775 0.68 NOTUM (0.53) KMT2A

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 TP53 4833/4885ALDH1A1 3010/4885HTT 1324/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 TP53 4833/4885ALDH1A1 3010/4885HTT 1324/4885

“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.