SCHEMBL5158485

SCHEMBL5158485

NC(=O)CC(=O)c1cc2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.62
ALDH1A1 P00352 4/20 0.56
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
PKM P14618 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MAOB P27338 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54

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
SCHEMBL3032755 0.85 FLT3 (0.61) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL28117952 0.82 FLT3 (0.67) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL10313745 0.82 FLT3 (0.67) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL10155752 0.82 FLT3 (0.67) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL5592854 0.82 TP53 (0.69) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL5160482 0.82 FLT3 (0.57) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL5163100 0.82 FLT3 (0.57) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL31094451 0.81 FLT3 (0.56) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL5163569 0.81 ALDH1A1 (0.56) FLT3ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL4055368 0.81 FLT3 (0.56) FLT3ALDH1A1TP53SMN1; SMN2HPGD

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 FLT3 2295/4885ALDH1A1 273/4885TP53 4761/4885

“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.