SCHEMBL6858798

SCHEMBL6858798

C#CCCOC(=O)N1C(=O)[C@@H](O[Si](CC)(CC)CC)[C@H]1c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
HIF1A Q16665 1/20 0.35
HTT P42858 3/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALOX15 P16050 1/20 0.34
BRD4 O60885 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6858796 1.00 ADORA2B (0.36) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6858791 1.00 ADORA2B (0.36) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6858758 0.88 PKM (0.46) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6858753 0.88 PKM (0.46) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6858762 0.88 PKM (0.46) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6860096 0.87 LMNA (0.44) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6853180 0.87 L3MBTL1 (0.46) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6853174 0.87 L3MBTL1 (0.46) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6853176 0.87 L3MBTL1 (0.46) ADORA2BNPSR1KMT2AMEN1PKM
SCHEMBL6860099 0.87 LMNA (0.44) ADORA2BNPSR1KMT2AMEN1PKM

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-6794523-B2 ANTICANCER AGENTS, ANTITUMOR AGENTS; LEUKEMIA FLORIDA STATE UNIVERSITY 2004-09-21 US disclosed
US-20030065200-A1 Anticancer agents, antitumor agents; leukemia FLORIDA STATE UNIVERSITY 2003-04-03 US disclosed
US-6018073-A Tricyclic taxanes having an alkoxy, alkenoxy or aryloxy substituted side-chain and pharmaceutical compositions containing them FLORIDA STATE UNIVERSITY (US) 2000-01-25 US disclosed
US-5739362-A ANTILEUKEMIA, ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY (US) 1998-04-14 US 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-20030065200-A1 Anticancer agents, antitumor agents; leukemia MCL1, BCL3, TOP2A ADORA2B 4197/4885NPSR1 4199/4885KMT2A 1890/4885

“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.