SCHEMBL5072258

SCHEMBL5072258

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.43
LMNA P02545 2/20 0.36
PTGS2 P35354 2/20 0.36
ITGAV P06756 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2 P00734 2/20 0.35
KMT2A Q03164 2/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
EED O75530 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL8002389 0.83 BCAT2 (0.50) BCAT2LMNAPTGS2ITGAVTSHR
SCHEMBL6250243 0.83 BCAT2 (0.50) BCAT2LMNAPTGS2ITGAVTSHR
SCHEMBL5072261 0.71 BCAT2 (0.45) BCAT2LMNAPTGS2ITGAVALDH1A1
SCHEMBL8092650 0.71 KMT2A (0.57) BCAT2LMNAALDH1A1TDP1KMT2A
SCHEMBL8719447 0.69 TSHR (0.43) LMNAITGAVTSHRKMT2ACYP1A2
SCHEMBL29838630 0.69 BCAT2 (0.62) BCAT2LMNAALDH1A1TSHRF2
SCHEMBL34748 0.69 BCAT2 (0.62) BCAT2LMNAALDH1A1TSHRF2
SCHEMBL30455577 0.69 BCAT2 (0.62) BCAT2LMNAALDH1A1KMT2AEED
SCHEMBL6631818 0.69 BCAT2 (0.62) BCAT2LMNAALDH1A1KMT2AEED
Hydrochloric Acid SCHEMBL7869876 0.67 BCAT2 (0.61) BCAT2LMNAALDH1A1TSHRF2

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 3265/4885LMNA 3778/4885PTGS2 3/4885

“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.