SCHEMBL2802891

SCHEMBL2802891

C#CCOc1cccc(C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMPS P49915 1/20 0.43
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 6/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP19A1 P11511 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
DHODH Q02127 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL14459972 0.83 RAB9A (0.47) MAPK1POLBKMT2A
SCHEMBL19974589 0.81 CYP19A1 (0.47) MAOBCYP19A1CHRNB2CHRNB4CHRNA3
SCHEMBL14860981 0.79 MAPK1 (0.48) MAPK1POLBKMT2ACYP1A2
SCHEMBL3684567 0.78 SMPD1 (0.57) POLBKMT2A
SCHEMBL29727768 0.78 AKR1C3 (0.55) MAPK1KMT2AHDAC8
SCHEMBL8530920 0.78 AKR1C3 (0.55) MAPK1KMT2AHDAC8
SCHEMBL30180651 0.77 MRGPRX4 (0.52) GMPSMAPK1POLBMAOBKMT2A
SCHEMBL1339773 0.77 MRGPRX4 (0.52) GMPSMAPK1POLBMAOBKMT2A
SCHEMBL15847495 0.77 PDE4B (0.37) CYP2B6GSTP1
SCHEMBL13950373 0.76 MAPK1 (0.43) MAPK1POLBKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986694-B1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTHCARE AG (CH) 2015-06-10 EP disclosed
EP-1986694-B1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTHCARE AG (CH) 2015-06-10 EP disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 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
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2009-03-26 US disclosed
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2009-03-26 US disclosed
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2009-03-26 US disclosed
EP-1986694-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS Novo Nordisk A/S (DK) 2008-11-05 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-2007093594-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (DK) 2007-08-23 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 (3 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 GMPS 1042/4885MAPK1 4226/4885POLB 4227/4885
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus PTMS, VIP, LNPEP GMPS 1770/4885MAPK1 4380/4885POLB 2721/4885
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS PTMS, VIP, LNPEP GMPS 1770/4885MAPK1 4380/4885POLB 2721/4885

“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.