SCHEMBL3304243

SCHEMBL3304243

O=C(O)CN(c1ccc2c(ccn2-c2cc(=O)[nH]c(=O)[nH]2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
KEAP1 Q14145 12/20 0.35
NFE2L2 Q16236 12/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 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
SCHEMBL3032323 0.86 S1PR1 (0.30) S1PR1
SCHEMBL3296989 0.83 TP53 (0.35) TP53KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL3301530 0.82 TP53 (0.38) TP53KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL13409276 0.81 ROCK2 (0.30)
SCHEMBL13391061 0.80 KEAP1 (0.44) KEAP1NFE2L2ALDH1A1L3MBTL1S1PR1
SCHEMBL3298487 0.79 ALDH1A1 (0.39) KEAP1NFE2L2ALDH1A1L3MBTL1S1PR1
SCHEMBL13391139 0.79 L3MBTL1 (0.38) KEAP1NFE2L2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3302803 0.79 KEAP1 (0.37) KEAP1NFE2L2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3299974 0.78 ROCK2 (0.54) TP53KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL3302235 0.78 KEAP1 (0.36) KEAP1NFE2L2SMN1; SMN2ALDH1A1L3MBTL1

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 3 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

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 TP53 3881/4885KEAP1 1594/4885NFE2L2 4427/4885

“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.