SCHEMBL13596609

SCHEMBL13596609

C#CCNC(=O)OCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.54
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
FAAH O00519 3/20 0.33
PTGS1 P23219 7/20 0.32
PTGS2 P35354 7/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL19266930 0.85 MGLL (0.59) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL20730015 0.81 MGLL (0.62) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13535134 0.81 ACHE (0.44) ALDH1A1HIF1ATP53MEN1KMT2A
SCHEMBL21648873 0.79 MGLL (0.51) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL21648768 0.78 MGLL (0.57) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL17696612 0.76 MGLL (0.69) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4141287 0.75 MGLL (0.47) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL12286751 0.75 MGLL (0.71) MGLLALDH1A1HPGDBLMGSK3A
SCHEMBL193799 0.75 MGLL (0.71) MGLLALDH1A1HPGDBLMGSK3A
SCHEMBL13695959 0.75 MGLL (0.71) MGLLALDH1A1HPGDBLMGSK3A

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
EP-4362982-A1 CONJUGATES COMPRISING PHOSPHOANTIGENS AND THEIR USE IN THERAPY Byondis B.V. (NL) 2024-05-08 EP disclosed
WO-2023275025-A1 CONJUGATES COMPRISING PHOSPHOANTIGENS AND THEIR USE IN THERAPY BYONDIS B.V. (NL) 2023-01-05 WO disclosed
WO-2023275025-A1 CONJUGATES COMPRISING PHOSPHOANTIGENS AND THEIR USE IN THERAPY BYONDIS B.V. (NL) 2023-01-05 WO disclosed
EP-1994000-B1 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-08-23 EP disclosed
US-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 US disclosed
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates Georg-August-Universität Göttingen Stiftung öffentlichen Rechts (ohne Bereich Humanmedizin) (DE) 2009-12-24 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-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates PCNA, DCK, BAD MGLL 4666/4885ALDH1A1 2365/4885HPGD 2747/4885

“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.