SCHEMBL5158427

SCHEMBL5158427

CCNC(=O)CC(=O)c1cocn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.34
NAMPT P43490 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
F2R P25116 1/20 0.32
GRM5 P41594 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL5160047 0.83 PIK3CD (0.35) ACACBPIK3CDSMN1; SMN2F2RGRM5
SCHEMBL14368133 0.81 ACACB (0.44) ACACBL3MBTL1PIK3CDNAMPTRAB9A
SCHEMBL19438494 0.79 PIK3CD (0.37) ACACBPIK3CDNAMPTF2R
SCHEMBL2632662 0.78
SCHEMBL5160077 0.76 ACACB (0.38) ACACBPIK3CDNAMPTHPGDSMN1; SMN2
SCHEMBL5158091 0.75 ACACB (0.38) ACACBL3MBTL1PIK3CDNAMPTPOLB
SCHEMBL5163521 0.75 MGAM (0.44) ACACBNAMPTRAB9AHPGDSMN1; SMN2
SCHEMBL5163302 0.75 ACACB (0.37) ACACBPIK3CDNAMPTHPGDKDM4E
SCHEMBL5158436 0.71 ACACB (0.43) ACACBL3MBTL1PIK3CDRECQLSMN1; SMN2
SCHEMBL5162046 0.71 CCNB2 (0.36) ACACBL3MBTL1PIK3CDKDM4EF2R

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 ACACB 76/4885L3MBTL1 4382/4885PIK3CD 765/4885

“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.