SCHEMBL5161077

SCHEMBL5161077

CCNC(=O)CC(=O)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
GAA P10253 2/20 0.59
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GSK3B P49841 1/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL1200312 0.82 LMNA (0.61) LMNAERCC5FEN1ALDH1A1NPC1
SCHEMBL711360 0.81 RAB9A (0.75) LMNAERCC5FEN1ALDH1A1NPC1
SCHEMBL2199589 0.80 GAA (0.69) GAAALDH1A1NPC1RAB9AMEN1
SCHEMBL1200568 0.79 HPGD (0.78) LMNAGAAERCC5FEN1ALDH1A1
SCHEMBL6419377 0.79 ERCC5 (0.61) LMNAGAAERCC5FEN1ALDH1A1
SCHEMBL1547840 0.78 ERCC5 (0.65) LMNAGAAERCC5FEN1ALDH1A1
SCHEMBL1232758 0.77
SCHEMBL7292555 0.77 CES2 (0.59) LMNAGAAERCC5FEN1ALDH1A1
SCHEMBL28459884 0.77 ERCC5 (0.62) LMNAGAAERCC5FEN1ALDH1A1
Dimethylamine SCHEMBL28391186 0.77 ALDH1A1 (0.62) LMNAERCC5FEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO LMNA 3165/4885GAA 1272/4885ERCC5 1067/4885

“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.