SCHEMBL4396144

SCHEMBL4396144

CC(C)(C)OC(=O)NOCc1cccc(C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.38
GSK3B P49841 2/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
TSHR P16473 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
LMNA P02545 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
SCHEMBL6635090 0.86 BRD4 (0.44) SLC7A5LOXL2
SCHEMBL4391966 0.82 LOXL2 (0.58) SLC7A5LOXL2MRGPRX4CYP4F2CYP4A11
SCHEMBL9494583 0.80 SLC7A5 (0.44) SLC7A5ALDH1A1TSHR
SCHEMBL4399149 0.79 MRGPRX4 (0.50) SLC7A5MRGPRX4RAB9ANPC1ALDH1A1
SCHEMBL16316860 0.78 LOXL2 (0.44) SLC7A5LOXL2GSK3BCYP4F2CYP4A11
SCHEMBL32665365 0.76 NQO2 (0.44) SLC7A5RAB9ANPC1KDM4EMAPT
SCHEMBL17742315 0.76 F2 (0.41) ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL19658173 0.75 KMT2A (0.44) LOXL2GSK3BCYP4F2CYP4A11ALDH1A1
SCHEMBL16426741 0.75 LOXL2 (0.40) SLC7A5LOXL2GSK3BCYP4F2CYP4A11
SCHEMBL21939481 0.74 CA12 (0.34)

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 11 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
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
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-20090082254-A1 Coupling of Polypeptides at the C-Terminus PTMS, VIP, LNPEP SLC7A5 1571/4885LOXL2 3513/4885MRGPRX4 1044/4885
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS PTMS, VIP, LNPEP SLC7A5 1571/4885LOXL2 3513/4885MRGPRX4 1044/4885
US-20090105134-A1 C-Terminally Pegylated Growth Hormones GHRHR, GHITM, HDGF SLC7A5 1160/4885LOXL2 3549/4885MRGPRX4 2324/4885

“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.