SCHEMBL3300245

SCHEMBL3300245

CCc1cc2[nH]ccc2cc1N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.35
PSEN2 P49810 18/20 0.35
APH1B Q8WW43 18/20 0.35
NCSTN Q92542 18/20 0.35
APH1A Q96BI3 18/20 0.35
PSENEN Q9NZ42 18/20 0.35
ACLY P53396 1/20 0.32
ITGA4 P13612 1/20 0.31

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
SCHEMBL3298174 0.90 ACLY (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3301093 0.89 ACLY (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3300480 0.83 PTGS2 (0.37) ACLY
SCHEMBL4432767 0.80 KEAP1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3300362 0.79 ACLY (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3299972 0.78 PTGS2 (0.34)
SCHEMBL3294496 0.77 PTGS2 (0.34)
SCHEMBL13390314 0.77 PKM (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3300940 0.76 HTR6 (0.41)
SCHEMBL3297291 0.75 ALDH1A1 (0.31) ACLYITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.