SCHEMBL10145301

SCHEMBL10145301

O=C(COC(=O)c1ccccc1OC(=O)CON(O)O)OCCCCON(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SCN1A P35498 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
SCHEMBL12136642 0.93 PTGS2 (0.41) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL12136641 0.93 PTGS2 (0.41) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL12136842 0.93 ALDH1A1 (0.42) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL10144640 0.91 PTGS2 (0.41) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL10144566 0.91 KDM4E (0.42) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL10144636 0.89 PTGS2 (0.56) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL10145303 0.87 KDM4E (0.41) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL10144567 0.87 KDM4E (0.39) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL12136640 0.86 PTGS2 (0.37) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL13206074 0.86 PTGS2 (0.37) PTGS2TSHRMAPK1TP53CYP3A4

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 PTGS2 59/4885TSHR 2779/4885MAPK1 3044/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885TSHR 2779/4885MAPK1 3044/4885

“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.