SCHEMBL5143663

SCHEMBL5143663

CCOC(=O)C=C(C)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 4/20 0.42
HCAR2 Q8TDS4 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
MAPT P10636 5/20 0.37
GLO1 Q04760 1/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36

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
SCHEMBL5143661 1.00 NPSR1 (0.50) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL12213573 1.00 NPSR1 (0.50) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL11600719 0.88 NPSR1 (0.50) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL11494484 0.82 NPSR1 (0.48) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL24793666 0.81 NPSR1 (0.52) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL6570866 0.81 NPSR1 (0.52) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL1127387 0.81 NPSR1 (0.52) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL13713079 0.80 NPSR1 (0.47) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL11753351 0.79 NPSR1 (0.50) NPSR1ALDH1A1HCAR2LMNAHSD17B10
SCHEMBL10460625 0.79 NPSR1 (0.50) NPSR1ALDH1A1HCAR2LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178438-A Novel chiral phosphine-spiro phosphoramidite ligand and preparation and application thereof 中国科学院大连化学物理研究所 2023-05-30 CN disclosed
US-7169953-B2 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2007-01-30 US disclosed
US-7153809-B2 For use as catalysts in asymmetric reactions, such as, hydrogenation, hydride transfer, allylic alkylation, hydrosilylation, hydroboration, hydrovinylation, hydroformylation, olefin metathesis, hydrocarboxylation THE PENN STATE RESEARCH FOUNDATION (US) 2006-12-26 US disclosed
WO-2005117907-A2 P-CHIRAL PHOSPHOLANES AND PHOSPHOCYCLIC COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYTIC REACTIONS THE PENN STATE RESEARCH FOUNDATION (US) 2005-12-15 WO disclosed
US-20050119495-A1 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION 2005-06-02 US disclosed
US-20040229846-A1 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION 2004-11-18 US disclosed
US-20040186314-A1 Process for the preparation of enantiomerically enriched n-acyl-beta-amino acid derivatives by enantioselective hydrogenation of the corresponding (z)-enamides MALAN CHRISTOPHE GUILLAUME (CH) 2004-09-23 US disclosed
EP-1421059-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED N-ACYL-BETA-AMINO ACID DERIVATIVES BY ENANTIOSELECTIVE HYDROGENATION OF THE CORRESPONDING (Z)-ENAMIDES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-05-26 EP disclosed
WO-2003016264-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED N-ACYL-BETA-AMINO ACID DERIVATIVES BY ENANTIOSELECTIVE HYDROGENATION OF THE CORRESPONDING (Z)-ENAMIDES CHIROTECH TECHNOLOGY LIMITED (GB) 2003-02-27 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-20040229846-A1 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions PNKP, PFKFB4, PFKFB3 NPSR1 2550/4885ALDH1A1 1540/4885HCAR2 3698/4885
US-20040186314-A1 Process for the preparation of enantiomerically enriched n-acyl-beta-amino acid derivatives by enantioselective hydrogenation of the corresponding (z)-enamides EEF1D, ADH5, HRH3 NPSR1 292/4885ALDH1A1 1084/4885HCAR2 1308/4885
US-20050119495-A1 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions PFKFB4, PFKFB3, PFKFB1 NPSR1 2292/4885ALDH1A1 1175/4885HCAR2 3521/4885

“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.