SCHEMBL1156078

SCHEMBL1156078

CS(=O)(=O)N(c1ccc2[nH]c(C(=O)NC3CC3)cc2c1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.56
SMYD3 Q9H7B4 2/20 0.50
PYGL P06737 12/20 0.46
PLA2G7 Q13093 5/20 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
SCHEMBL1156511 0.89 MLLT1 (0.53) MLLT1SMYD3PYGL
SCHEMBL1156396 0.86 MLLT1 (0.52) MLLT1SMYD3PYGL
SCHEMBL1156045 0.84 MLLT1 (0.54) MLLT1SMYD3PYGL
SCHEMBL1156317 0.80 SMYD3 (0.49) MLLT1SMYD3PYGL
SCHEMBL1156449 0.77 SMYD3 (0.51) MLLT1SMYD3PYGL
SCHEMBL1156041 0.76 ADRB2 (0.50) MLLT1SMYD3
SCHEMBL17209760 0.76 MLLT1 (0.70) MLLT1SMYD3PYGL
SCHEMBL17209759 0.76 MLLT1 (0.70) MLLT1SMYD3PYGL
SCHEMBL11888227 0.76 MLLT1 (0.70) MLLT1SMYD3PYGL
SCHEMBL15170845 0.76 SMYD3 (0.57) MLLT1SMYD3PYGL

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776106-B1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMA (US) 2013-08-07 EP disclosed
EP-1776106-B1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMA (US) 2013-08-07 EP disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
EP-1776106-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-04-25 EP disclosed
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 WO disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 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 (3 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-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MLLT1 4258/4885SMYD3 3304/4885PYGL 4091/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MLLT1 4258/4885SMYD3 3304/4885PYGL 4091/4885
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels CACNA1D, ORAI1, CACNA1C MLLT1 4258/4885SMYD3 3304/4885PYGL 4091/4885

“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.