SCHEMBL3301642

SCHEMBL3301642

CNC(=O)c1cnc(-n2ccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
BRPF1 P55201 4/20 0.40
BRD1 O95696 3/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 4/20 0.38
BRD4 O60885 2/20 0.38
BRD9 Q9H8M2 2/20 0.38
BRPF3 Q9ULD4 2/20 0.38
PKM P14618 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL3300437 0.90 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13390413 0.89 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3303848 0.83 MAPK1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13409467 0.82 IRAK4 (0.36) IRAK4BRAF
SCHEMBL3302638 0.80 STS (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3298251 0.80 BRPF1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3298163 0.78 IRAK4 (0.34) IRAK4
SCHEMBL3302786 0.77 STS (0.45)
SCHEMBL3304258 0.77 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3299193 0.76 IRAK4 (0.36) IRAK4

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 3 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

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 PSEN1 167/4885PSEN2 628/4885APH1B 2811/4885

“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.