SCHEMBL2804548

SCHEMBL2804548

C#CCOc1ccc(C(C)=O)cc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.40
MAOB P27338 2/20 0.36
HTR2A P28223 1/20 0.36
CREBBP Q92793 3/20 0.35
CYP2B6 P20813 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MDH1 P40925 1/20 0.32
MDH2 P40926 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
SCHEMBL3306149 0.81 NPC1 (0.44) PDE4BMAOBPOLBMEN1CYP3A4
SCHEMBL2801933 0.80 MAOB (0.44) PDE4BMAOBHTR2ACREBBPCYP2B6
SCHEMBL2801449 0.78 AKR1C3 (0.48) MAOBHTR2ACREBBPAKR1C3AKR1C2
SCHEMBL13916462 0.78 POLB (0.37) MAOBCREBBPPOLBCTDSP1TDP1
SCHEMBL15847495 0.76 PDE4B (0.37) PDE4BHTR2ACYP2B6
SCHEMBL19974589 0.72 CYP19A1 (0.47) MAOB
SCHEMBL2802891 0.71 GMPS (0.43) MAOBCYP2B6POLBCYP1A2KMT2A
SCHEMBL3565689 0.71 MAPT (0.42) MEN1KMT2AL3MBTL1
SCHEMBL12799708 0.71 MAOB (0.44) PDE4BMAOBCREBBPCYP2B6POLB
SCHEMBL12799701 0.71 MAOB (0.63) PDE4BMAOBCYP2B6CYP2C9CYP2C19

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
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
EP-2121725-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES Novo Nordisk Health Care AG (CH) 2009-11-25 EP disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 WO disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 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-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides PTMS, DNPEP, VIP PDE4B 4293/4885MAOB 1932/4885HTR2A 2956/4885

“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.