SCHEMBL335156

SCHEMBL335156

[N-]=[N+]=CC(=O)NCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.41
KDM4E B2RXH2 2/20 0.34
PLA2G2A P14555 1/20 0.34
HTT P42858 1/20 0.34
TGM2 P21980 1/20 0.33
PRMT1 Q99873 1/20 0.33
FAAH O00519 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
LMNA P02545 2/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ADRA1A P35348 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMEL1 Q495T6 1/20 0.30

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
SCHEMBL334739 0.78 TGM2 (0.41) ECE1KDM4ETGM2FAAHLMNA
SCHEMBL18752932 0.73 ECE1 (0.46) ECE1KDM4EPLA2G2AHTTPRMT1
SCHEMBL9726421 0.71 ECE1 (0.45) ECE1KDM4EPLA2G2AHTTPRMT1
SCHEMBL35714 0.71 TSHR (0.54) ECE1KDM4EPLA2G2AHTTTGM2
SCHEMBL21836734 0.70 ALDH1A1 (0.52) ECE1LMNAEGLN1ALDH1A1
SCHEMBL543785 0.70 ALDH1A1 (0.52) ECE1LMNAEGLN1ALDH1A1
SCHEMBL543786 0.70 ALDH1A1 (0.52) ECE1LMNAEGLN1ALDH1A1
SCHEMBL20657235 0.68 ECE1 (0.42) ECE1KDM4EPLA2G2AHTTPRMT1
SCHEMBL21114363 0.67 ECE1 (0.50) ECE1KDM4EPLA2G2AHTTPRMT1
SCHEMBL440563 0.67

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38947-E1 Method of enantioselectively catalyzing a reaction RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2006-01-24 US claimed
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP claimed
EP-0594608-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1994-05-04 EP claimed
US-5296595-A Metal complexes with bridging ligands RESEARCH CORPORATION TECHNOLOGIES (US) 1994-03-22 US claimed
EP-0594608-A4 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1993-03-15 EP claimed
WO-1991014672-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-03 WO claimed
US-9994595-B2 Catalyst and battery components derived from condensation reactions with carba-closo-dodecaborate amines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-12 US disclosed
US-20170084954-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 US disclosed
WO-2015139060-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-17 WO disclosed
US-8558017-B2 Ruthenium (II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2013-01-24 US disclosed
US-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2012-06-14 US disclosed
US-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations R.P. SCHERER TECHNOLOGIES, INC. 2007-11-22 US disclosed
US-RE38947-E1 Method of enantioselectively catalyzing a reaction RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2006-01-24 US disclosed
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP disclosed
EP-0594608-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1994-05-04 EP disclosed
US-5296595-A Metal complexes with bridging ligands RESEARCH CORPORATION TECHNOLOGIES (US) 1994-03-22 US disclosed
EP-0594608-A4 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1993-03-15 EP disclosed
US-5175311-A Reacting olefin with carbene precursor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-29 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 (4 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-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ECE1 2763/4885KDM4E 1161/4885PLA2G2A 4439/4885
US-20170084954-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES NUDC, NCAPH, C2CD5 ECE1 4546/4885KDM4E 3391/4885PLA2G2A 1565/4885
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ECE1 2763/4885KDM4E 1161/4885PLA2G2A 4439/4885
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations RUVBL2, SPR, RUVBL1 ECE1 2763/4885KDM4E 1161/4885PLA2G2A 4439/4885

“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.