SCHEMBL1156484

SCHEMBL1156484

O=S(=O)(c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1)N1CCCCCC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 10/20 0.69
▸ TSHR P16473 3/20 0.59
▸ MCOLN3 Q8TDD5 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ USP2 O75604 1/20 0.53
▸ GAA P10253 1/20 0.52

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
SCHEMBL1156323 0.85 LMNA (0.63) HTR6TSHRMCOLN3ALDH1A1LMNA
SCHEMBL1155939 0.80 HTR6 (0.54) HTR6TSHRALDH1A1LMNAMEN1
SCHEMBL8277567 0.79 HTR6 (0.67) HTR6TSHRALDH1A1LMNAMEN1
SCHEMBL10445162 0.78 ALDH1A1 (0.85) TSHRMCOLN3ALDH1A1LMNAMEN1
SCHEMBL1902263 0.78 ALDH1A1 (0.85) TSHRMCOLN3ALDH1A1LMNAMEN1
SCHEMBL6805741 0.76 ALDH1A1 (0.81) TSHRALDH1A1LMNATHRBNPSR1
SCHEMBL1988224 0.76 ALDH1A1 (0.81) TSHRALDH1A1LMNATHRBNPSR1
SCHEMBL1156648 0.76 ALDH1A1 (0.55) HTR6TSHRMCOLN3ALDH1A1LMNA
SCHEMBL3814970 0.75 MCOLN3 (1.00) TSHRMCOLN3ALDH1A1LMNAMEN1
SCHEMBL30821997 0.75 MCOLN3 (1.00) TSHRMCOLN3ALDH1A1LMNAMEN1

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 18 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-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
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 HTR6 396/4885TSHR 4200/4885MCOLN3 431/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C HTR6 396/4885TSHR 4200/4885MCOLN3 431/4885
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels CACNA1D, ORAI1, CACNA1C HTR6 396/4885TSHR 4200/4885MCOLN3 431/4885

“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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