SCHEMBL14025307

SCHEMBL14025307

CS(=O)(=O)c1ccc(/C(COC(=O)OCC(O[N+](=O)[O-])O[N+](=O)[O-])=C(/C(=O)OCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.42
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS2 P35354 7/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL13624620 0.91 PTGS2 (0.43) ESR2MAPTMEN1NPC1MITF
SCHEMBL14025306 0.91 ESR2 (0.43) ESR2PTGS2
SCHEMBL14025305 0.89 ESR2 (0.46) ESR2PTGS2
SCHEMBL14045665 0.87 PTGS2 (0.37) ESR2MAPTPTGS2
SCHEMBL13624618 0.84 ESR2 (0.47) ESR2PTGS2
SCHEMBL13624619 0.82 PTGS2 (0.44) ESR2PTGS2
SCHEMBL13635258 0.81 PTGS2 (0.35) ESR2MAPTPTGS2
SCHEMBL4364672 0.80 PTGS2 (0.47) ESR2PTGS2
SCHEMBL4364681 0.80 PTGS2 (0.47) ESR2PTGS2
SCHEMBL13624617 0.78 ESR2 (0.42) ESR2PTGS2

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-20080242643-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5H)-Furanones as Cyclooxygenase-2 Inhibitors DUFRESNE CLAUDE 2008-10-02 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-20080242643-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5H)-Furanones as Cyclooxygenase-2 Inhibitors PTGIS, PTGS1, PTGS2 ESR2 1536/4885MAPT 4845/4885MEN1 3299/4885

“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.