SCHEMBL5162422

SCHEMBL5162422

COC(=O)CC(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.64
HDAC1 Q13547 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MCL1 Q07820 1/20 0.58
MAPT P10636 10/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CD274 Q9NZQ7 1/20 0.56
TP53 P04637 3/20 0.56
RXFP1 Q9HBX9 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 3/20 0.55
PKM P14618 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55

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
SCHEMBL4386528 0.81 LMNA (0.69) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL7984062 0.78 HDAC1 (0.79) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL6477287 0.78 OGG1 (1.00) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL12768191 0.78 HDAC1 (0.68) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL1886020 0.76 HDAC1 (1.00) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL5162360 0.76 ALOX5 (0.49) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL2610241 0.76 MCL1 (0.71) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL7088656 0.76 MCL1 (0.76) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL660460 0.75 LOXL2 (0.51) OGG1HDAC1HDAC8HDAC6MCL1
Hydrochloric Acid SCHEMBL7984637 0.74 MAPT (0.64) OGG1HDAC1HDAC8HDAC6MCL1

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 5 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 claimed
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 OGG1 973/4885HDAC1 1196/4885HDAC8 2935/4885

“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.