SCHEMBL1320030

SCHEMBL1320030

CCCCC(C(=O)O)N(c1c(C(N)=O)c(CC)cc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1.c1cc2cc-2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.36
PSEN1 P49768 5/20 0.34
PSEN2 P49810 5/20 0.34
APH1B Q8WW43 5/20 0.34
NCSTN Q92542 5/20 0.34
APH1A Q96BI3 5/20 0.34
PSENEN Q9NZ42 5/20 0.34
PTPN1 P18031 1/20 0.33
TACR3 P29371 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
RORC P51449 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
ADORA1 P30542 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
SCHEMBL1110393 0.82 KEAP1 (0.41) ACLYRORC
SCHEMBL1318952 0.81 ALDH1A1 (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL1110219 0.80 ACLY (0.37) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL1110199 0.77 ACLY (0.37) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL1318290 0.76 PSEN1 (0.35) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL1110608 0.76 ACLY (0.35) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL1110221 0.75 PSEN1 (0.38) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL1110375 0.75 MMP13 (0.39) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL1110368 0.74 PSEN1 (0.40) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL1110573 0.73 PSEN1 (0.38) 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 1173/4885PSEN1 2282/4885PSEN2 3185/4885

“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.