SCHEMBL10144636

SCHEMBL10144636

CC(=O)Oc1ccccc1C(=O)OCC(=O)OCCCCON(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.56
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL10145301 0.89 PTGS2 (0.43) PTGS2KDM4EHSD17B10LMNATSHR
SCHEMBL12136842 0.87 ALDH1A1 (0.42) PTGS2KDM4EHSD17B10LMNATSHR
SCHEMBL12136641 0.87 PTGS2 (0.41) PTGS2KDM4EHSD17B10LMNATSHR
SCHEMBL10144640 0.87 PTGS2 (0.41) PTGS2KDM4EHSD17B10LMNATSHR
SCHEMBL10144566 0.87 KDM4E (0.42) PTGS2KDM4EHSD17B10LMNATSHR
SCHEMBL12136642 0.87 PTGS2 (0.41) PTGS2KDM4EHSD17B10LMNATSHR
SCHEMBL2600810 0.86 PTGS2 (0.56) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL554336 0.85 PTGS2 (0.58) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL13236441 0.85 PTGS2 (0.52) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL13236743 0.84 PTGS2 (0.51) PTGS2KDM4EHSD17B10LMNACYP1A2

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 59/4885KDM4E 960/4885HSD17B10 636/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885KDM4E 960/4885HSD17B10 636/4885

“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.