SCHEMBL5163569

SCHEMBL5163569

CN(C)C(=O)CC(=O)c1cc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 2/20 0.56
FLT3 P36888 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
MAPK1 P28482 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL5160471 0.85 TAS1R3 (0.53) ALDH1A1HPGDFLT3TAS1R3TAS1R1
SCHEMBL3032755 0.83 FLT3 (0.61) ALDH1A1HPGDFLT3TAS1R3TAS1R1
SCHEMBL5158485 0.81 FLT3 (0.62) ALDH1A1HPGDFLT3TAS1R3TAS1R1
SCHEMBL10155752 0.80 FLT3 (0.67) ALDH1A1HPGDFLT3TAS1R3TAS1R1
SCHEMBL5163100 0.80 FLT3 (0.57) ALDH1A1HPGDFLT3TAS1R3TAS1R1
SCHEMBL5160482 0.80 FLT3 (0.57) ALDH1A1HPGDFLT3TAS1R3TAS1R1
SCHEMBL4502411 0.79 MAPT (0.57) ALDH1A1HPGDFLT3TAS1R3TAS1R1
SCHEMBL22325320 0.79 ALDH1A1 (0.68) ALDH1A1HPGDFLT3TP53SMN1; SMN2
SCHEMBL30701009 0.79 MAPK1 (0.60) ALDH1A1HPGDFLT3TAS1R3TAS1R1
SCHEMBL8703930 0.79 MAPK1 (0.60) ALDH1A1HPGDFLT3TAS1R3TAS1R1

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 ALDH1A1 273/4885HPGD 673/4885FLT3 2295/4885

“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.