SCHEMBL2642445

SCHEMBL2642445

CS(=O)(=O)Nc1cccc(Cl)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 1/20 0.50
PTGES2 Q9H7Z7 1/20 0.49
CCR2 P41597 3/20 0.48
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RCE1 Q9Y256 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLO1 Q04760 2/20 0.44
NR3C1 P04150 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44

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
SCHEMBL2642570 0.81 KEAP1 (0.53) KEAP1NFE2L2PTGES2PTGS2L3MBTL1
SCHEMBL11238658 0.81 KEAP1 (0.53) KEAP1NFE2L2PTGES2PTGS1PTGS2
SCHEMBL2318350 0.80 PTGS1 (0.61) KEAP1NFE2L2PTGS1PTGS2KDM4E
SCHEMBL27275056 0.79 KEAP1 (0.52) KEAP1NFE2L2PTGS1PTGS2KDM4E
SCHEMBL3785060 0.79 KEAP1 (0.52) KEAP1NFE2L2PTGS1PTGS2KDM4E
SCHEMBL2642079 0.79 KEAP1 (0.52) KEAP1NFE2L2PTGS1PTGS2MAPT
SCHEMBL12990378 0.79 KEAP1 (0.67) KEAP1NFE2L2PTGS1PTGS2MAPT
SCHEMBL3789124 0.78 KEAP1 (0.59) KEAP1NFE2L2PTGS1PTGS2KDM4E
SCHEMBL21870755 0.78 KEAP1 (0.50) KEAP1NFE2L2KDM4EL3MBTL1GLO1
SCHEMBL26386536 0.78 KEAP1 (0.50) KEAP1NFE2L2KDM4EALDH1A1L3MBTL1

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 406/4885PTGES2 2792/4885

“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.