SCHEMBL5161544

SCHEMBL5161544

CNC(=O)CC(=O)c1cnc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.58
CFTR P13569 1/20 0.53
HPGDS O60760 1/20 0.49
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
PLK1 P53350 1/20 0.48
CCR1 P32246 1/20 0.47
BCAT1 P54687 1/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDR P35968 1/20 0.47
NOTUM Q6P988 1/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL5160063 0.86 MGAM (0.55) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL9700485 0.85 MGAM (0.61) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL5363975 0.83 MGAM (0.68) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL5160062 0.82 MGAM (0.58) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL7100632 0.82 MGAM (0.61) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL8270577 0.81 MGAM (0.65) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL22389 0.81 PLK1 (0.65) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL5163220 0.81 MGAM (0.56) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL5158122 0.79 MGAM (0.54) MGAMCFTRHPGDSHDAC1HDAC2
SCHEMBL5162925 0.79 LMNA (0.59) MGAMCFTRHPGDSHDAC1HDAC2

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 MGAM 323/4885CFTR 4725/4885HPGDS 1562/4885

“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.