SCHEMBL3298940

SCHEMBL3298940

O=C(O)CN(c1ccc2c(ccn2-c2ccc(N3CCOCC3)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 3/20 0.38
ACLY P53396 1/20 0.38
ALDH1A1 P00352 4/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
AKR1C3 P42330 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3300029 0.91 KEAP1 (0.40) KEAP1NFE2L2ACLYALDH1A1USP2
SCHEMBL4427128 0.90 ACLY (0.42) KEAP1NFE2L2ACLYALDH1A1USP2
SCHEMBL13390711 0.90 MAPT (0.35) KEAP1NFE2L2ACLYALDH1A1USP2
SCHEMBL3300144 0.89 KEAP1 (0.38) KEAP1NFE2L2ACLYALDH1A1USP2
SCHEMBL3298920 0.89 F10 (0.35) KEAP1NFE2L2ALDH1A1USP2TSHR
SCHEMBL4430841 0.89 KEAP1 (0.39) KEAP1NFE2L2ACLYALDH1A1USP2
SCHEMBL3303882 0.85 KEAP1 (0.41) KEAP1NFE2L2ALDH1A1USP2TSHR
SCHEMBL4430338 0.83 KEAP1 (0.43) KEAP1NFE2L2HSD17B10PKM
SCHEMBL13391266 0.83 PLAU (0.36) KEAP1NFE2L2ALDH1A1L3MBTL1
SCHEMBL3295626 0.83 KEAP1 (0.38) KEAP1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
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
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
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
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO 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 KEAP1 1594/4885NFE2L2 4427/4885ACLY 297/4885

“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.