SCHEMBL3033478

SCHEMBL3033478

CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1cccc(CO[N+](=O)[O-])n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.57
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
PTGS1 P23219 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
GGT1 P19440 1/20 0.38
BLM P54132 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CCR6 P51684 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
SCHEMBL3651806 0.88 PTGS2 (0.63) PTGS2HSD17B10KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL4029457 0.87 PTGS2 (0.61) PTGS2HSD17B10KDM4ELMNACYP1A2
Nitric Acid SCHEMBL4027674 0.86 PTGS2 (0.60) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL3025442 0.84 HSD17B10 (0.46) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL13236759 0.83 HSD17B10 (0.44) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4128980 0.79 PTGS2 (0.56) PTGS2HSD17B10KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL4120907 0.78 PTGS2 (0.55) PTGS2HSD17B10KDM4ELMNACYP1A2
Nitric Acid SCHEMBL4138682 0.77 PTGS2 (0.54) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL9856486 0.76 HSD17B10 (0.65) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL15889887 0.75 PTGS2 (0.85) PTGS2HSD17B10KDM4ELMNACYP1A2

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-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
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 7/4885HSD17B10 1604/4885KDM4E 2962/4885

“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.