SCHEMBL10317404

SCHEMBL10317404

CN(C)CCNc1ccc(-n2cc(C(F)(F)F)c3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)nn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.32
KEAP1 Q14145 3/20 0.31
NFE2L2 Q16236 3/20 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
SCHEMBL13391104 0.91 KEAP1 (0.33) MAPTALDH1A1KEAP1NFE2L2
SCHEMBL13390645 0.91 PSEN1 (0.32) MAPT
SCHEMBL3305366 0.90 KEAP1 (0.34) MAPTTSHRKEAP1NFE2L2
SCHEMBL3301413 0.90 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL13391219 0.88 KEAP1 (0.31) MAPTKEAP1NFE2L2
SCHEMBL3298759 0.86
SCHEMBL3299427 0.84 KEAP1 (0.33) ALDH1A1KEAP1NFE2L2
SCHEMBL4435332 0.83 KEAP1 (0.34) MAPTTSHRKEAP1NFE2L2
SCHEMBL13390184 0.83 PKM (0.32) TP53
Hydrochloric Acid SCHEMBL3295585 0.82 KEAP1 (0.35) MAPTTSHRKEAP1NFE2L2

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 L3MBTL1 3235/4885MAPT 947/4885USP2 1581/4885

“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.