SCHEMBL5162925

SCHEMBL5162925

CCN(CC)C(=O)CC(=O)c1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
POLB P06746 1/20 0.59
TSHR P16473 1/20 0.59
RAB9A P51151 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CFTR P13569 1/20 0.56
MGAM O43451 1/20 0.54
HPGDS O60760 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TRPV1 Q8NER1 7/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL5163220 0.86 MGAM (0.56) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL7618841 0.83 CFTR (0.70) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL9700485 0.81 MGAM (0.61) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL5158122 0.81 MGAM (0.54) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL8270577 0.81 MGAM (0.65) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL5363975 0.80 MGAM (0.68) LMNARAB9ACFTRMGAMHPGDS
SCHEMBL5160063 0.80 MGAM (0.55) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL5161544 0.79 MGAM (0.58) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL5160062 0.79 MGAM (0.58) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL9361658 0.79 MGAM (0.61) LMNAPOLBTSHRRAB9AHSD17B10

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 LMNA 3165/4885POLB 2040/4885TSHR 4474/4885

“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.