SCHEMBL3033273

SCHEMBL3033273

CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCCCCO[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.77
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
BLM P54132 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
ESR2 Q92731 1/20 0.38

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
SCHEMBL3029701 1.00 PTGS2 (0.77) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL13216648 0.99 PTGS2 (0.79) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL10121464 0.94 PTGS2 (0.85) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL10121462 0.90 PTGS2 (0.78) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL23145504 0.89 PTGS2 (0.97) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL29754289 0.89 PTGS2 (0.97) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL5605205 0.87 PTGS2 (1.00) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL10121461 0.85 PTGS2 (0.74) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL554806 0.84 PTGS2 (0.84) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL13893977 0.83 PTGS2 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210694-A1 NEW NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-08-19 US disclosed
US-20100210694-A1 NEW NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-08-19 US disclosed
EP-2200967-A2 NEW NO-DONOR ASPIRIN DERIVATIVES Nicox S.A. (FR) 2010-06-30 EP disclosed
WO-2009049961-A2 NEW NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2009-04-23 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-20100210694-A1 NEW NO-DONOR ASPIRIN DERIVATIVES PTGIS, NOS2, NOS3 PTGS2 7/4885KDM4E 2962/4885HSD17B10 1604/4885

“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.