SCHEMBL3301093

SCHEMBL3301093

Cc1cc2[nH]ccc2cc1N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS2 P35354 1/20 0.31
ESR1 P03372 1/20 0.31
ITGA4 P13612 1/20 0.30

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 0.91 ACLY (0.33) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3300245 0.89 PSEN1 (0.35) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3300480 0.84 PTGS2 (0.37) ACLYPTGS2
SCHEMBL3300362 0.82 ACLY (0.32) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3299972 0.80 PTGS2 (0.34) PTGS2
SCHEMBL3297291 0.80 ALDH1A1 (0.31) ACLYALDH1A1ITGA4
SCHEMBL3294496 0.78 PTGS2 (0.34) PTGS2
SCHEMBL4433910 0.77 KEAP1 (0.48)
SCHEMBL3303002 0.76 PTGS2 (0.37) PTGS2
SCHEMBL13390328 0.74 MCOLN3 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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 ACLY 297/4885PSEN1 167/4885PSEN2 628/4885

“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.