SCHEMBL56987

SCHEMBL56987

O=C(COc1ccc(F)c(Cl)c1)N1CCC(S(=O)(=O)NCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 2/20 0.47
ATF4 P18848 2/20 0.47
GPR183 P32249 2/20 0.47
PKM P14618 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL57050 0.95 KMT2A (0.47) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL90762 0.89 GPR183 (0.52) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL66545 0.87 ALDH1A1 (0.48) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL56480 0.84 SMN1; SMN2 (0.53) POLBSMN1; SMN2LMNAATF4PKM
SCHEMBL65663 0.81 ALDH1A1 (0.46) KMT2AMEN1POLBSMN1; SMN2ATF4
SCHEMBL65760 0.79 SMN1; SMN2 (0.50) POLBSMN1; SMN2LMNAATF4PKM
SCHEMBL8243869 0.77 SMN1; SMN2 (0.43) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL20989197 0.77 MEN1 (0.53) KMT2AMEN1POLBSMN1; SMN2GPR183
SCHEMBL66069 0.76 TDP1 (0.47) KMT2APOLBSMN1; SMN2LMNAATF4
SCHEMBL8236980 0.76 ALDH1A1 (0.51) KMT2AMEN1POLBSMN1; SMN2GPR183

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 KMT2A 2455/4885MEN1 4785/4885POLB 4825/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 KMT2A 2455/4885MEN1 4785/4885POLB 4825/4885

“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.