SCHEMBL1156480

SCHEMBL1156480

Cc1c(C(=O)O)n(S(=O)(=O)c2ccccc2)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ LMNA P02545 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MCOLN3 Q8TDD5 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL1156446 0.88 MAPT (0.49) KMT2AMEN1LMNAKDM4EHTT
SCHEMBL8276832 0.88 ATM (0.48) KMT2AMEN1HPGDLMNAMCOLN3
SCHEMBL1155912 0.88 HPGD (0.56) KMT2AMEN1HPGDLMNAKDM4E
SCHEMBL12878927 0.84 HPGD (0.59) KMT2AMEN1HPGDLMNAKDM4E
SCHEMBL8277090 0.83 HPGD (0.48) KMT2AMEN1HPGDLMNAKDM4E
SCHEMBL1156404 0.79 LMNA (0.58) KMT2AMEN1HPGDLMNAKDM4E
SCHEMBL1156486 0.76 MEN1 (0.55) KMT2AMEN1HPGDLMNAMCOLN3
SCHEMBL762416 0.75 KMT2A (0.74) KMT2AMEN1LMNAKDM4EMCOLN3
SCHEMBL1155932 0.75 MAPT (0.52) KMT2AMEN1HPGDLMNAKDM4E
SCHEMBL10260377 0.75 ALDH1A1 (0.66) KMT2AMEN1HPGDLMNAHTT

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 16 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-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-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

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 KMT2A 3808/4885MEN1 3121/4885HPGD 603/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C KMT2A 3808/4885MEN1 3121/4885HPGD 603/4885
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels CACNA1D, ORAI1, CACNA1C KMT2A 3808/4885MEN1 3121/4885HPGD 603/4885

“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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