SCHEMBL554420

SCHEMBL554420

CC(CO)(CO)NC(=O)COC(=O)c1ccccc1OC(=O)CCCCCO[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.54
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MITF O75030 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL12135333 0.95 PTGS2 (0.51) PTGS2NPC1RAB9AMAPTALDH1A1
SCHEMBL10144639 0.85 NPC1 (0.41) PTGS2NPC1RAB9AMAPTALDH1A1
SCHEMBL10121515 0.83 PTGS2 (0.39) PTGS2NPC1MAPTALDH1A1KDM4E
SCHEMBL554495 0.82 PTGS2 (0.61) PTGS2MAPTALDH1A1KMT2AKDM4E
SCHEMBL555682 0.82 PTGS2 (0.65) PTGS2MAPTALDH1A1KMT2AKDM4E
SCHEMBL10121585 0.81 PTGS2 (0.60) PTGS2MAPTALDH1A1KMT2AKDM4E
SCHEMBL12136838 0.80 NPC1 (0.39) PTGS2NPC1RAB9AMAPTALDH1A1
SCHEMBL12135339 0.79 NPC1 (0.49) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL555543 0.79 PTGS2 (0.60) PTGS2MAPTALDH1A1KMT2AKDM4E
SCHEMBL554908 0.78 PTGS2 (0.52) PTGS2NPC1MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOCHEMICAL, LLC (US) 2012-02-09 US disclosed
US-8062653-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-11-22 US disclosed
US-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOMEDICAL, LLC. (US) 2010-08-19 US 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 (2 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-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885NPC1 3171/4885RAB9A 4810/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885NPC1 3171/4885RAB9A 4810/4885

“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.