SCHEMBL10165433

SCHEMBL10165433

COC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNA5 P22460 7/20 0.54
KCNH2 Q12809 3/20 0.54
STAT3 P40763 1/20 0.53
MAPT P10636 1/20 0.50
SLC16A1 P53985 5/20 0.49

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
SCHEMBL10165459 0.89 KCNA5 (0.46) POLBMEN1KMT2AKCNA5KCNH2
SCHEMBL10165426 0.86 KCNA5 (0.58) MEN1KMT2AKCNA5KCNH2MAPT
SCHEMBL9974134 0.80 SCN3A (0.57) MEN1KMT2AMAPT
SCHEMBL10165506 0.75 RXFP1 (0.54) POLBKMT2AKCNA5KCNH2MAPT
SCHEMBL26694396 0.74 POLB (0.71) POLBMEN1KMT2ASTAT3MAPT
SCHEMBL14884740 0.71 STAT3 (1.00) POLBMEN1KMT2ASTAT3MAPT
SCHEMBL10203639 0.70 STAT3 (0.72) POLBMEN1KMT2ASTAT3MAPT
SCHEMBL10165422 0.70 NPY5R (0.44) POLBMEN1KMT2AKCNA5KCNH2
SCHEMBL10165427 0.70 KCNA5 (0.46) KMT2AKCNA5MAPT
SCHEMBL13980997 0.70 STAT3 (0.76) POLBMEN1KMT2ASTAT3MAPT

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 POLB 4688/4885MEN1 3385/4885KMT2A 2348/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B POLB 4688/4885MEN1 3385/4885KMT2A 2348/4885

“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.