SCHEMBL4399149

SCHEMBL4399149

CC(C)(C)OC(=O)NOCc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.50
TP53 P04637 2/20 0.50
PKM P14618 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SLC7A5 Q01650 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL4391966 0.88 LOXL2 (0.58) MRGPRX4SMN1; SMN2RAB9ASLC7A5NPC1
SCHEMBL16623135 0.87 BCL2 (0.54) MRGPRX4NR1H4
SCHEMBL32665365 0.86 NQO2 (0.44) PKMNFKB1RAB9ASLC7A5NPC1
SCHEMBL716007 0.85 NPC1 (0.56) RAB9ANPC1
SCHEMBL184425 0.82 NR1H4 (0.61) RAB9ASLC7A5NPC1NR1H4
SCHEMBL32665594 0.82 MAOB (0.51) MRGPRX4PKM
SCHEMBL320558 0.80 NQO2 (0.50) RAB9ASLC7A5NPC1NR1H4
SCHEMBL2139009 0.80 MRGPRX4 (0.46) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL21015601 0.79 MRGPRX4 (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL4396144 0.79 SLC7A5 (0.43) MRGPRX4SMN1; SMN2RAB9ASLC7A5NPC1

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 15 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-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP disclosed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 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-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20090105134-A1 C-Terminally Pegylated Growth Hormones NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
US-20090105134-A1 C-Terminally Pegylated Growth Hormones NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
US-20090105134-A1 C-Terminally Pegylated Growth Hormones NOVO NORDISK A/S (DK) 2009-04-23 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
EP-1850878-A2 C-TERMINALLY PEGYLATED GROWTH HORMONES NOVO NORDISK A/S (DK) 2007-11-07 EP disclosed
WO-2007093594-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (DK) 2007-08-23 WO disclosed
WO-2006084888-A2 C-TERMINALLY PEGYLATED GROWTH HORMONES NOVO NORDISK A/S (DK) 2006-08-17 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-20090082254-A1 Coupling of Polypeptides at the C-Terminus PTMS, VIP, LNPEP MRGPRX4 1044/4885TP53 943/4885PKM 3449/4885
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS PTMS, VIP, LNPEP MRGPRX4 1044/4885TP53 943/4885PKM 3449/4885
US-20090105134-A1 C-Terminally Pegylated Growth Hormones GHRHR, GHITM, HDGF MRGPRX4 2324/4885TP53 787/4885PKM 4447/4885

“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.