SCHEMBL5162955

SCHEMBL5162955

CCNC(=O)CC(=O)c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHIA Q9BZP6 1/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL5158464 0.80 P2RX7 (0.47) P2RX7CTNNB1WNT3ALMNAHTT
SCHEMBL5158722 0.79 LMNA (0.56) CTNNB1WNT3AL3MBTL1LMNAHTT
SCHEMBL13359252 0.78 P2RX7 (0.59) P2RX7L3MBTL1LMNAHTTKDM4E
SCHEMBL18622307 0.76 P2RX7 (0.47) P2RX7CTNNB1WNT3ALMNAHTT
SCHEMBL15096486 0.75 LMNA (0.53) P2RX7CTNNB1WNT3AL3MBTL1LMNA
SCHEMBL882968 0.74 CTNNB1 (0.50) P2RX7CTNNB1WNT3AL3MBTL1LMNA
SCHEMBL13359194 0.74 LMNA (0.41) P2RX7L3MBTL1LMNAHTTKDM4E
SCHEMBL5160977 0.72 P2RX7 (0.47) P2RX7CTNNB1WNT3AL3MBTL1LMNA
SCHEMBL1505564 0.72 MGAM (0.50) P2RX7CTNNB1WNT3ALMNAHTT
SCHEMBL5164163 0.72 P2RX7 (0.42) P2RX7CTNNB1WNT3AL3MBTL1LMNA

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 P2RX7 2943/4885CTNNB1 3075/4885WNT3A 1178/4885

“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.