SCHEMBL4391966

SCHEMBL4391966

COC(=O)c1cccc(CONC(=O)OC(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
MRGPRX4 Q96LA9 6/20 0.53
SLC7A5 Q01650 2/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.48
FOLH1 Q04609 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL4399149 0.88 MRGPRX4 (0.50) MRGPRX4SLC7A5RAB9ASMN1; SMN2ALDH1A1
SCHEMBL32665365 0.85 NQO2 (0.44) SLC7A5RAB9AKDM4EMAPTNPC1
SCHEMBL4396144 0.82 SLC7A5 (0.43) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL879574 0.82 LOXL2 (0.56) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL716007 0.81 NPC1 (0.56) RAB9ANPC1
SCHEMBL2141158 0.80 LOXL2 (0.54) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL31539425 0.80 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL2996602 0.80 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL21221834 0.79 MRGPRX4 (0.64) LOXL2MRGPRX4RAB9ASMN1; SMN2KDM4E
SCHEMBL4982689 0.79 SLC7A5 (0.50) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5

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
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 LOXL2 3513/4885CYP4F2 4128/4885CYP4A11 4765/4885
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS PTMS, VIP, LNPEP LOXL2 3513/4885CYP4F2 4128/4885CYP4A11 4765/4885
US-20090105134-A1 C-Terminally Pegylated Growth Hormones GHRHR, GHITM, HDGF LOXL2 3549/4885CYP4F2 2488/4885CYP4A11 2590/4885

“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.