SCHEMBL1110364

SCHEMBL1110364

CCCCC(C(=O)O)N(c1c(-c2noc(C)n2)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.35
TRPM8 Q7Z2W7 11/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
BDKRB1 P46663 2/20 0.32
MAPT P10636 1/20 0.31
PPARA Q07869 1/20 0.31
TP53 P04637 1/20 0.31
ACLY P53396 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
SCHEMBL1110384 0.85 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1110361 0.83 MMP12 (0.32) ITGA4PSEN1PSEN2APH1BNCSTN
SCHEMBL1110582 0.82 KEAP1 (0.41) TRPM8
SCHEMBL1110202 0.81 MMP12 (0.37) BDKRB1PPARATP53ACLY
SCHEMBL1321251 0.80 MMP12 (0.36) BDKRB1MAPT
SCHEMBL1318290 0.80 PSEN1 (0.35) ITGA4PSEN1PSEN2APH1BNCSTN
SCHEMBL1110486 0.80 MMP12 (0.35) BDKRB1MAPT
SCHEMBL1110375 0.78 MMP13 (0.39) ITGA4PSEN1PSEN2APH1BNCSTN
SCHEMBL2055497 0.78 TRPM8 (0.33) ITGA4TRPM8BDKRB1MAPTTP53
SCHEMBL12116144 0.76 NR1D1 (0.35) ITGA4TRPM8BDKRB1MAPTTP53

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 2 patents. 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
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP 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 ITGA4 3203/4885TRPM8 4510/4885PSEN1 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.