SCHEMBL1322374

SCHEMBL1322374

CC(C)(C)C(C(=O)O)N(c1cccc2c(-c3ccnc(Cl)n3)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.34
HSD11B1 P28845 1/20 0.32
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
KMO O15229 3/20 0.31
C1R P00736 1/20 0.31
PRSS1 P07477 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL1320174 0.84 PSEN1 (0.37) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL12116357 0.78 KEAP1 (0.37) ACLY
SCHEMBL3299723 0.76 ACLY (0.33) ACLYHSD11B1PTGDR2
SCHEMBL1318221 0.71 PIK3CA (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3297204 0.71 KEAP1 (0.34) ACLY
SCHEMBL1110141 0.70 PSEN1 (0.38) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3297379 0.68 NTSR1 (0.32)
SCHEMBL3298174 0.67 ACLY (0.33) ACLYHSD11B1PSEN1PSEN2APH1B
SCHEMBL1319294 0.67 KDM4C (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3300362 0.67 ACLY (0.32) ACLYPSEN1PSEN2APH1BNCSTN

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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 ACLY 1173/4885HSD11B1 943/4885PSEN1 2282/4885

“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.