SCHEMBL8278538

SCHEMBL8278538

CC1CCN(S(=O)(=O)c2ccc3c(c2)cc(C(=O)N(C(C)C)C(C)C)n3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.53
▸ MCOLN3 Q8TDD5 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 5/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HTT P42858 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
SCHEMBL1156404 0.89 LMNA (0.58) LMNAMCOLN3ALDH1A1MAPTKMT2A
SCHEMBL13744055 0.84 LMNA (0.51) LMNAMCOLN3ALDH1A1MAPTKMT2A
SCHEMBL10293336 0.83 LMNA (0.52) LMNAMCOLN3ALDH1A1MAPTKMT2A
SCHEMBL1156541 0.79 LMNA (0.58) LMNAMCOLN3ALDH1A1MAPTKMT2A
SCHEMBL1156345 0.76 CCR2 (0.50) LMNAALDH1A1MAPTKMT2AKDM4E
SCHEMBL1155923 0.76 CCR2 (0.57) LMNAMCOLN3ALDH1A1MAPTKMT2A
SCHEMBL1156115 0.76 LMNA (0.51) LMNAMCOLN3MAPTKMT2ATP53
SCHEMBL12878663 0.75 LMNA (0.55) LMNAMCOLN3ALDH1A1MAPTKMT2A
SCHEMBL1156323 0.73 LMNA (0.63) LMNAMCOLN3ALDH1A1MAPTKMT2A
SCHEMBL10260615 0.73 HTT (0.55) ALDH1A1KMT2APOLBSMN1; SMN2MEN1

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
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-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-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 — — US 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 (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-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C LMNA 1753/4885MCOLN3 431/4885ALDH1A1 3826/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C LMNA 1753/4885MCOLN3 431/4885ALDH1A1 3826/4885

“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.

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