SCHEMBL1027346

SCHEMBL1027346

CCCC[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
FAAH O00519 3/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.33
DPP4 P27487 4/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL1024907 0.95 MGLL (0.40) MGLLPTGS1PTGS2FAAHNFKB1
SCHEMBL1027623 0.90 CA1 (0.37) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL1024862 0.82 MGLL (0.35) MGLLALDH1A1GMNNLMNAMAPT
SCHEMBL1027700 0.81 PTGS1 (0.35) MGLLPTGS1PTGS2FAAHNFKB1
SCHEMBL1028209 0.81 PTGS1 (0.35) MGLLPTGS1PTGS2FAAHNFKB1
SCHEMBL1027701 0.81 PTGS1 (0.35) MGLLPTGS1PTGS2FAAHNFKB1
SCHEMBL1028207 0.81 PTGS1 (0.35) MGLLPTGS1PTGS2FAAHNFKB1
SCHEMBL1535527 0.79 JAK2 (0.36) MGLLALDH1A1GMNNLMNAMAPT
SCHEMBL1026489 0.78 PTGS1 (0.35) MGLLPTGS1PTGS2FAAHNFKB1
SCHEMBL1029959 0.78 PTGS1 (0.35) MGLLPTGS1PTGS2FAAHNFKB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479669-B1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography TOSOH CORP (JP) 2011-01-19 EP disclosed
US-7645889-B2 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2010-01-12 US disclosed
US-20080230482-A1 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2008-09-25 US disclosed
US-7381742-B2 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2008-06-03 US disclosed
US-20070131616-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2007-06-14 US disclosed
US-7186750-B2 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2007-03-06 US disclosed
US-20040235937-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2004-11-25 US disclosed
EP-1479669-A1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography Tosoh Corporation (JP) 2004-11-24 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 (3 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-20080230482-A1 Optically active polymaleimide derivatives and process for their production CYBA, COASY, MEP1B MGLL 2036/4885PTGS1 1062/4885PTGS2 998/4885
US-20040235937-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them MACF1, MEP1B, CYBA MGLL 2056/4885PTGS1 860/4885PTGS2 852/4885
US-20070131616-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them MACF1, MEP1B, ACMSD MGLL 1868/4885PTGS1 1162/4885PTGS2 861/4885

“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.