SCHEMBL2642079

SCHEMBL2642079

CS(=O)(=O)Nc1cccc(Cl)c1[O]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 1/20 0.52
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RCE1 Q9Y256 1/20 0.46
NR3C1 P04150 4/20 0.45
GLO1 Q04760 2/20 0.45
HTT P42858 2/20 0.45
PGR P06401 2/20 0.45
NR3C2 P08235 2/20 0.45
AR P10275 2/20 0.45
ALOX15 P16050 1/20 0.45
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
RECQL P46063 1/20 0.41
PLA2G7 Q13093 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL11238658 0.82 KEAP1 (0.53) KEAP1NFE2L2PTGS1PTGS2L3MBTL1
SCHEMBL2318350 0.82 PTGS1 (0.61) KEAP1NFE2L2PTGS1PTGS2L3MBTL1
SCHEMBL12990378 0.81 KEAP1 (0.67) KEAP1NFE2L2PTGS1PTGS2ALDH1A1
SCHEMBL3785060 0.81 KEAP1 (0.52) KEAP1NFE2L2PTGS1PTGS2L3MBTL1
SCHEMBL3789124 0.79 KEAP1 (0.59) KEAP1NFE2L2PTGS1PTGS2L3MBTL1
SCHEMBL8607546 0.79 KEAP1 (0.50) KEAP1NFE2L2PTGS1PTGS2L3MBTL1
SCHEMBL2642445 0.79 KEAP1 (0.50) KEAP1NFE2L2PTGS1PTGS2L3MBTL1
SCHEMBL2642081 0.79 KEAP1 (0.50) KEAP1NFE2L2PTGS1PTGS2L3MBTL1
SCHEMBL30505727 0.78 ALDH1A1 (0.55) KEAP1NFE2L2PTGS1PTGS2L3MBTL1
SCHEMBL13145656 0.77 KEAP1 (0.47) KEAP1NFE2L2PTGS1PTGS2L3MBTL1

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
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK KEAP1 954/4885NFE2L2 406/4885PTGS1 1687/4885

“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.