SCHEMBL13890455

SCHEMBL13890455

COc1ccc(-c2noc(CC(C)=O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.80
PTGS1 P23219 1/20 0.80
PDE3A Q14432 1/20 0.80

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
Mofezolac SCHEMBL151701 0.89 PTGS2 (1.00) PTGS2PTGS1PDE3A
SCHEMBL9124704 0.88 PTGS2 (0.78) PTGS2PTGS1PDE3A
SCHEMBL19537395 0.88 PTGS2 (0.78) PTGS2PTGS1PDE3A
Mofezolac SCHEMBL5398805 0.88 PTGS2 (0.97) PTGS2PTGS1PDE3A
SCHEMBL15943678 0.86 PTGS2 (0.76) PTGS2PTGS1PDE3A
SCHEMBL23021598 0.85 PTGS2 (0.80) PTGS2PTGS1PDE3A
SCHEMBL20904217 0.85 PTGS2 (0.74) PTGS2PTGS1PDE3A
SCHEMBL13875301 0.85 PTGS2 (0.74) PTGS2PTGS1PDE3A
SCHEMBL10333569 0.84 PTGS2 (0.73) PTGS2PTGS1PDE3A
SCHEMBL19537413 0.84 PTGS2 (1.00) PTGS2PTGS1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802726-B2 Use of nitrooxyderivative of drug for the treatment of muscular dystrophies NICOX S.A. (FR) 2014-08-12 US disclosed
US-8575222-B2 Use of nitrooxyderivatives of drug for the treatment of muscular dystrophies NICOX S.A. (FR) 2013-11-05 US disclosed
US-20130137765-A1 USE OF NITROOXYDERIVATIVE OF DRUG FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2013-05-30 US disclosed
US-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies NICOX SA (FR) 2009-04-09 US disclosed
WO-2007088123-A2 USE OF NITROOXYDERIVATIVE OF DRUG FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2007-08-09 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-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies TNNC1, CPT1B, SMN1; SMN2 PTGS2 440/4885PTGS1 292/4885PDE3A 15/4885
US-20130137765-A1 USE OF NITROOXYDERIVATIVE OF DRUG FOR THE TREATMENT OF MUSCULAR DYSTROPHIES TNNC1, CPT1B, SMN1; SMN2 PTGS2 489/4885PTGS1 248/4885PDE3A 20/4885

“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.