SCHEMBL334739

SCHEMBL334739

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.41
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CTH P32929 1/20 0.32
APEX1 P27695 1/20 0.31
FAAH O00519 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA5 P08648 1/20 0.31
ECE1 P42892 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC22A6 Q4U2R8 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
SCHEMBL3341406 0.80 TGM2 (0.40) TGM2ALDH1A1POLBLMNATDP1
SCHEMBL335156 0.78 ECE1 (0.41) TGM2ALDH1A1POLBEGLN1MAPT
SCHEMBL2732731 0.77 TGM2 (0.38) TGM2ALDH1A1FAAHKDM4E
SCHEMBL6982581 0.70
SCHEMBL18130360 0.70
SCHEMBL81647 0.69
SCHEMBL9726601 0.69
SCHEMBL2159350 0.69
SCHEMBL28715 0.69
SCHEMBL17373960 0.68 EGLN1 (0.48) ALDH1A1POLBEGLN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2024106876-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS 연세대학교 산학협력단 2024-05-23 WO disclosed
US-20240041842-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2024-02-08 US disclosed
EP-4295844-A2 PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS Industry-Academic Cooperation Foundation, Yonsei University (KR) 2023-12-27 EP disclosed
WO-2022169342-A2 PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS 연세대학교 산학협력단 2022-08-11 WO disclosed
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-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 US disclosed
US-20090069519-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS NATIONAL SCIENCE FOUNDATION 2009-03-12 US disclosed
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations R.P. SCHERER TECHNOLOGIES, INC. 2007-11-22 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
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
WO-1991014672-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-03 WO 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-20170084954-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES NUDC, NCAPH, C2CD5 TGM2 2912/4885ALDH1A1 4533/4885POLB 474/4885
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS DUOX2, DUOX1, PPOX TGM2 1987/4885ALDH1A1 1047/4885POLB 1397/4885
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations RUVBL2, SPR, RUVBL1 TGM2 2992/4885ALDH1A1 2164/4885POLB 2472/4885

“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.