SCHEMBL10165459

SCHEMBL10165459

COC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3c(C#N)cccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.46
KCNH2 Q12809 3/20 0.46
SLC16A1 P53985 6/20 0.42
POLB P06746 1/20 0.42
ABCB1 P08183 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10165433 0.89 POLB (0.57) KCNA5KCNH2SLC16A1POLBMEN1
SCHEMBL10165426 0.78 KCNA5 (0.58) KCNA5KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL28808827 0.75 POLB (0.70) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL10165443 0.74 NPY5R (0.44) KCNA5KCNH2POLBMEN1KMT2A
SCHEMBL10165492 0.74 ALDH1A1 (0.42) KCNA5KCNH2POLBMEN1KMT2A
SCHEMBL10165422 0.74 NPY5R (0.44) KCNA5KCNH2POLBMEN1KMT2A
SCHEMBL10165427 0.74 KCNA5 (0.46) KCNA5KMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10165440 0.73 RORC (0.48) KCNA5KCNH2ALDH1A1SMN1; SMN2
SCHEMBL10165442 0.73 RORC (0.48) POLBKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10165494 0.73 TRAF6 (0.46) KCNA5KCNH2POLBKDM4EMAPK1

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-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B KCNA5 32/4885KCNH2 13/4885SLC16A1 329/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B KCNA5 32/4885KCNH2 13/4885SLC16A1 329/4885

“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.