SCHEMBL3303882

SCHEMBL3303882

O=C(O)CN(c1ccc2c(ccn2-c2cnc(C(=O)N3CCOCC3)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
GRM5 P41594 1/20 0.34
AOC3 Q16853 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HTR2C P28335 2/20 0.33
F10 P00742 1/20 0.32
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13391597 0.91 HSP90AA1 (0.34) KEAP1NFE2L2ALDH1A1POLB
Hydrochloric Acid SCHEMBL3297232 0.90 HSP90AA1 (0.33) KEAP1NFE2L2ALDH1A1POLB
SCHEMBL13390183 0.90 TSHR (0.36) KEAP1NFE2L2ALDH1A1TSHRUSP2
SCHEMBL3300029 0.90 KEAP1 (0.40) KEAP1NFE2L2ALDH1A1TSHRUSP2
SCHEMBL3300605 0.89 KEAP1 (0.40) KEAP1NFE2L2ALDH1A1TSHRUSP2
SCHEMBL3302801 0.87 KEAP1 (0.41) KEAP1NFE2L2ALDH1A1TSHRUSP2
SCHEMBL3301581 0.86 PLAU (0.37) KEAP1NFE2L2ALDH1A1
SCHEMBL3301425 0.85 KEAP1 (0.36) KEAP1NFE2L2ALDH1A1TSHRUSP2
SCHEMBL3298940 0.85 KEAP1 (0.38) KEAP1NFE2L2ALDH1A1TSHRUSP2
SCHEMBL3298163 0.83 IRAK4 (0.34) KEAP1NFE2L2SMN1; SMN2

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 4 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

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 4427/4885ALDH1A1 1848/4885

“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.