SCHEMBL10144632

SCHEMBL10144632

CC(CO)(CO)NC(=O)COC(=O)c1ccccc1OC(=O)CON(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
GBA1 P04062 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 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
SCHEMBL10144639 0.87 NPC1 (0.41) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12135339 0.86 NPC1 (0.49) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12136838 0.86 NPC1 (0.39) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL554420 0.76 PTGS2 (0.54) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL10145301 0.74 PTGS2 (0.43) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL10145203 0.71 KDM4E (0.57) ALDH1A1LMNAKDM4EMAPTRECQL
SCHEMBL10144648 0.71 TDP1 (0.37) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12136642 0.70 PTGS2 (0.41) ALDH1A1LMNAKDM4EMAPTRECQL
SCHEMBL10144628 0.69 PTGS2 (0.38) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12136842 0.68 ALDH1A1 (0.42) NPC1RAB9AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303978-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-11-06 US disclosed
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
WO-2010096320-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2010-08-26 WO 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 NPC1 3171/4885RAB9A 4810/4885ALDH1A1 676/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 NPC1 3171/4885RAB9A 4810/4885ALDH1A1 676/4885

“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.