SCHEMBL8277567

SCHEMBL8277567

NS(=O)(=O)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.67
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ PKM P14618 1/20 0.54
▸ CYP3A4 P08684 1/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL29617199 0.83 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL2510832 0.83 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1
Hydroxyamine SCHEMBL14672692 0.81 HTR6 (0.65) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL4099158 0.80 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL3526978 0.80 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL3331751 0.80 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL34460046 0.80 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL1996380 0.80 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL428128 0.80 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL426117 0.80 HTR6 (0.68) HTR6MEN1KMT2AHTTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 HTR6 396/4885MEN1 3121/4885KMT2A 3808/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C HTR6 396/4885MEN1 3121/4885KMT2A 3808/4885

“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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