SCHEMBL3021341

SCHEMBL3021341

O=C(O)c1ccc(SCCCO[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.45
PLA2G4B P0C869 2/20 0.44
PLA2G4A P47712 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ESR2 Q92731 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SRD5A2 P31213 2/20 0.39
ALDH1A1 P00352 2/20 0.39
APEX1 P27695 1/20 0.38
FBP1 P09467 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3656356 0.82 CA12 (0.51) CA12CA1CA2CA4CA9
SCHEMBL3656353 0.81 CA12 (0.44) CA12CA1CA2CA4CA9
SCHEMBL15941568 0.78 TP53 (0.59) PLA2G4BPLA2G4ACA12CA1CA2
SCHEMBL3025585 0.78 RARB (0.49) PLA2G4BCA12CA1CA2CA4
SCHEMBL3026943 0.78 CA12 (0.59) PLA2G4BPLA2G4ACA12CA1CA2
SCHEMBL1018124 0.75 CA2 (0.54) PLA2G2APLA2G4BPLA2G4ACA12CA1
SCHEMBL13236608 0.75 PLA2G2A (0.47) PLA2G2APLA2G4BPLA2G4AKMT2AALDH1A1
SCHEMBL23927597 0.74 TDP1 (0.47) PLA2G4BCA12CA1CA2CA4
SCHEMBL10876734 0.74 PLA2G4B (0.53) PLA2G2APLA2G4BPLA2G4AALDH1A1SMN1; SMN2
SCHEMBL3030975 0.74 PLA2G2A (0.48) PLA2G2APLA2G4BPLA2G4ACA12CA1

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 PLA2G2A 1398/4885PLA2G4B 561/4885PLA2G4A 671/4885

“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.