SCHEMBL65760

SCHEMBL65760

CN(C)S(=O)(=O)C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
ATF4 P18848 2/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FKBP1A P62942 1/20 0.42

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
SCHEMBL56480 0.85 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1RAB9ANPC1ATF4
SCHEMBL66069 0.80 TDP1 (0.47) SMN1; SMN2L3MBTL1RAB9ANPC1ATF4
SCHEMBL66545 0.80 ALDH1A1 (0.48) SMN1; SMN2L3MBTL1RAB9AATF4LMNA
SCHEMBL56987 0.79 KMT2A (0.51) SMN1; SMN2L3MBTL1ATF4LMNAPKM
SCHEMBL65663 0.77 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1RAB9ANPC1ATF4
SCHEMBL8243869 0.76 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1RAB9ANPC1ATF4
SCHEMBL57050 0.75 KMT2A (0.47) SMN1; SMN2L3MBTL1RAB9ANPC1ATF4
SCHEMBL8243715 0.74 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1RAB9ANPC1ATF4
SCHEMBL5059226 0.73 LMNA (0.65) SMN1; SMN2RAB9AATF4LMNAMAPT
SCHEMBL24225664 0.72 ATF4 (0.65) SMN1; SMN2L3MBTL1RAB9ANPC1ATF4

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 9 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
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 SMN1; SMN2 672/4885L3MBTL1 4070/4885RAB9A 2235/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 SMN1; SMN2 672/4885L3MBTL1 4070/4885RAB9A 2235/4885

“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.