SCHEMBL13089994

SCHEMBL13089994

CC(C(=O)OCc1ccc(CON(O)O)cc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.60
PTGS1 P23219 6/20 0.60
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CXCR1 P25024 2/20 0.54
CXCR2 P25025 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
CYP3A4 P08684 2/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
PMP22 Q01453 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CXCL8 P10145 1/20 0.54
THPO P40225 1/20 0.54
HIF1A Q16665 1/20 0.54
GLI1 P08151 3/20 0.54

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
SCHEMBL16830125 0.89 PTGS2 (0.70) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL13109321 0.87 PTGS2 (0.64) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL14289114 0.84 PTGS2 (0.60) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL31607041 0.83 PTGS2 (0.58) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL13089794 0.82 PTGS2 (0.61) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL13089801 0.82 PTGS2 (0.61) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL6381046 0.82 PTGS2 (0.74) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL5494432 0.82 PTGS2 (0.74) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL13089791 0.81 PTGS2 (0.64) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL13124866 0.81 PTGS2 (0.60) PTGS2PTGS1MAPTALDH1A1CXCR1

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
EP-1906938-B1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX SA (FR) 2010-10-20 EP disclosed
US-7815933-B2 Self emulsifying drug delivery system NICOX S.A. (FR) 2010-10-19 US disclosed
US-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX SA (FR) 2009-08-13 US disclosed
EP-1427392-B1 NEW SELF EMULSIFYING DRUG DELIVERY SYSTEM NICOX SA (FR) 2008-02-20 EP 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-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS FASN, PTGS1, NOS2 PTGS2 5/4885PTGS1 2/4885MAPT 3918/4885

“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.