SCHEMBL5162475

SCHEMBL5162475

CNC(=O)CC(=O)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.67
PLOD3 O60568 1/20 0.59
PLOD1 Q02809 1/20 0.59
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 3/20 0.55
HDAC8 Q9BY41 1/20 0.55
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
THRB P10828 1/20 0.51
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 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
SCHEMBL30753625 0.87 HDAC1 (0.60) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL1954553 0.87 HDAC1 (0.60) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL29554726 0.85 PLOD2 (0.89) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL10320930 0.85 PLOD2 (0.89) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL5163201 0.83 PLOD2 (0.63) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL27634012 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL30489910 0.82 PLOD2 (0.71) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL1720736 0.82 PLOD2 (0.71) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL17790200 0.81 PLOD2 (0.64) PLOD2PLOD3PLOD1ALDH1A1HDAC1
SCHEMBL4625207 0.80 PLOD2 (1.00) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1

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 PLOD2 1169/4885PLOD3 3951/4885PLOD1 1574/4885

“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.