SCHEMBL6358600

SCHEMBL6358600

CCOc1ccccc1NC(=O)C(C)O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.76
KDM4E B2RXH2 2/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
GAA P10253 4/20 0.65
LMNA P02545 4/20 0.60
ALDH1A1 P00352 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
POLB P06746 1/20 0.59
MEN1 O00255 3/20 0.59
CYP2C19 P33261 1/20 0.58
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTK2 Q05397 1/20 0.57
MCL1 Q07820 1/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
UBE2N P61088 1/20 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
SCHEMBL13596173 0.89 KMT2A (0.78) KMT2AKDM4EL3MBTL1GAALMNA
SCHEMBL28529941 0.86 KMT2A (0.74) KMT2AKDM4EL3MBTL1GAALMNA
SCHEMBL31351354 0.86 KMT2A (1.00) KMT2AKDM4EL3MBTL1GAALMNA
SCHEMBL9297476 0.85 KMT2A (0.75) KMT2AKDM4EL3MBTL1GAALMNA
SCHEMBL6348301 0.82 POLB (0.61) KMT2AALDH1A1POLBMEN1NPC1
SCHEMBL8110954 0.82 GAA (0.75) KMT2AKDM4EL3MBTL1GAALMNA
SCHEMBL2835288 0.80 GAA (0.73) KMT2AKDM4EL3MBTL1GAALMNA
SCHEMBL1645837 0.80 GAA (0.73) KMT2AKDM4EL3MBTL1GAALMNA
SCHEMBL1791238 0.80 GAA (0.73) KMT2AKDM4EL3MBTL1GAALMNA
SCHEMBL31527868 0.80 GAA (0.73) KMT2AKDM4EL3MBTL1GAALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109549927-B Solid solution compositions and their use in cardiovascular disease 因佛斯特医疗有限公司 2022-03-29 CN disclosed
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 WO 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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB KMT2A 1500/4885KDM4E 1225/4885L3MBTL1 1426/4885

“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.