SCHEMBL3299102

SCHEMBL3299102

Cc1[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2c1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.51
HTR6 P50406 2/20 0.51
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.47
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
PKM P14618 3/20 0.45
TP53 P04637 1/20 0.45
PGR P06401 1/20 0.45
ACLY P53396 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL617543 0.81 CDK1 (0.54) BRD4MAPTTP53ALDH1A1
SCHEMBL14018661 0.81 ITGA1 (0.50) BRD4MAPTTP53
SCHEMBL2840500 0.80 BRD4 (0.65) BRD4HTR6MAPTGAAPSEN1
SCHEMBL3304239 0.79 HTR6 (0.62) BRD4HTR6PSEN1PSEN2APH1B
SCHEMBL618067 0.79 BRD4 (0.56) BRD4HTR6MAPTPKM
SCHEMBL3303810 0.78 CYP3A4 (0.54) BRD4HTR6MAPTGAAPSEN1
SCHEMBL617899 0.78 MAPT (0.59) HTR6MAPTGAATP53ALDH1A1
SCHEMBL3302631 0.77 MAOA (0.48) HTR6MAPTGAAPSEN1PSEN2
SCHEMBL3300307 0.76 HTR6 (0.61) BRD4HTR6MAPTGAAPSEN1
SCHEMBL3297282 0.74 HTR6 (0.76) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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 (1 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 BRD4 4249/4885HTR6 2697/4885MAPT 947/4885

“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.