SCHEMBL10144564

SCHEMBL10144564

CC(C(=O)OCC(=O)OCCCCON(O)O)c1ccc2cc(OC(=O)CON(O)O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
PTGS1 P23219 2/20 0.38
TSHR P16473 2/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
CYP1A2 P05177 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL13206420 0.94 PTGS2 (0.39) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL12136836 0.93 PTGS2 (0.39) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL12136870 0.93 PTGS2 (0.40) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL12136837 0.92 MTNR1A (0.40) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL13206079 0.92 PTGS2 (0.38) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL13206077 0.92 PTGS2 (0.40) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL10144559 0.92 PTGS2 (0.39) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL12136840 0.90 PTGS2 (0.41) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL10145283 0.89 TDP1 (0.53) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL13199789 0.89 MTNR1A (0.41) PTGS2TDP1L3MBTL1MTNR1AMTNR1B

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-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
WO-2010096320-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2010-08-26 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 (1 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-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885TDP1 825/4885L3MBTL1 4441/4885

“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.