SCHEMBL2762835

SCHEMBL2762835

O=C(O)Cc1ccc(OCCCO[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA4 P22748 3/20 0.56
CA9 Q16790 3/20 0.56
PLA2G4B P0C869 1/20 0.51
LTB4R Q15722 4/20 0.49
LTB4R2 Q9NPC1 4/20 0.49
TBXAS1 P24557 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KCNH2 Q12809 1/20 0.44
PPARD Q03181 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PDE4A P27815 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL11684213 0.82 PLA2G4B (0.69) CA2PLA2G4BLTB4RLTB4R2TBXAS1
SCHEMBL3026943 0.81 CA12 (0.59) CA12CA1CA2CA4CA9
SCHEMBL9517972 0.80 LTB4R (0.63) PLA2G4BLTB4RLTB4R2TBXAS1ALDH1A1
SCHEMBL11683055 0.80 PLA2G4B (0.61) CA2PLA2G4BLTB4RLTB4R2TBXAS1
SCHEMBL15941568 0.78 TP53 (0.59) CA12CA1CA2CA4CA9
SCHEMBL2762936 0.78 PTGS2 (0.47) CA12CA1CA2CA4CA9
SCHEMBL11596852 0.78 PLA2G4B (0.56) PLA2G4BLTB4RLTB4R2TBXAS1ALDH1A1
SCHEMBL11650853 0.77 TMEM97 (0.49) CA2PLA2G4BALDH1A1LMNAKDM4E
SCHEMBL1162418 0.77 PLA2G4B (0.59) CA2PLA2G4BLTB4RLTB4R2TBXAS1
SCHEMBL10728695 0.77 PLA2G4B (0.59) PLA2G4BLTB4RLTB4R2TBXAS1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951653-B1 SALICYLIC ACID DERIVATIVES NICOX SA (FR) 2010-10-20 EP disclosed
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
US-20080293781-A1 Salicylic Acid Derivatives NICOX S.A. (FR) 2008-11-27 US disclosed
EP-1951653-A1 SALICYLIC ACID DERIVATIVES NicOx S.A. (FR) 2008-08-06 EP disclosed
WO-2007060112-A1 SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2007-05-31 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 (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-20080293781-A1 Salicylic Acid Derivatives PTGS2, PTGS1, PTGES2 CA12 2846/4885CA1 2747/4885CA2 686/4885
US-20100210694-A1 NEW NO-DONOR ASPIRIN DERIVATIVES PTGIS, NOS2, NOS3 CA12 4800/4885CA1 4743/4885CA2 2558/4885

“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.