SCHEMBL5072261

SCHEMBL5072261

CC(=O)OCC(=C(C(=O)O)c1ccccc1)c1ccccc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.45
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
PTGS2 P35354 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ITGAV P06756 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5072268 0.81 PTGS2 (0.53) PTGS2
SCHEMBL3988166 0.81 PTGS2 (0.53) PTGS2
SCHEMBL3988162 0.81 PTGS2 (0.53) PTGS2
SCHEMBL6250243 0.78 BCAT2 (0.50) BCAT2LMNAPTGS2AKR1C2AKR1C1
SCHEMBL8002389 0.78 BCAT2 (0.50) BCAT2LMNAPTGS2AKR1C2AKR1C1
SCHEMBL13846867 0.71 AKR1C3 (0.43) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL5072258 0.71 BCAT2 (0.43) BCAT2NPC1RAB9ALMNAPTGS2
SCHEMBL3864947 0.71 PTGS2 (0.48) PTGS2AKR1C2AKR1C1
SCHEMBL3864943 0.71 PTGS2 (0.48) PTGS2AKR1C2AKR1C1
SCHEMBL8425841 0.70 PTGS2 (0.50) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors BERTHELETTE CARL 2008-09-18 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 (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-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors PTGIS, PTGS1, PTGS2 BCAT2 3265/4885NPC1 3285/4885MAPT 4837/4885

“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.