SCHEMBL5604953

SCHEMBL5604953

CC(C(=O)OCCCCCCO[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.85
PTGS1 P23219 7/20 0.85
MAPT P10636 2/20 0.52
CXCR1 P25024 2/20 0.52
CXCR2 P25025 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
PMP22 Q01453 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CXCL8 P10145 1/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52
CA12 O43570 3/20 0.46

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
SCHEMBL29938771 0.99 PTGS2 (0.87) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL5605782 0.99 PTGS2 (0.87) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL6375235 0.97 PTGS2 (0.87) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL5604980 0.97 PTGS2 (0.87) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL13730902 0.89 PTGS2 (0.93) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL3043548 0.89 PTGS2 (0.69) PTGS2PTGS1CA12CA1CA2
SCHEMBL12103290 0.87 PTGS2 (0.82) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL13109325 0.85 PTGS2 (0.64) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL13109318 0.83 PTGS2 (0.65) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL5494432 0.82 PTGS2 (0.74) PTGS2PTGS1MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771461-A2 NOVEL 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES USED IN THE FORM OF INHIBITORS OF 17BETA-HYDROXYSTEROIDDEHYDROGENASE OF TYPE 1 Bayer Schering Pharma Aktiengesellschaft (DE) 2007-04-11 EP claimed
EP-1526839-B1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX SA (FR) 2007-03-14 EP claimed
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability NICOX S.A. (FR) 2006-08-03 US claimed
WO-2006003013-A2 NOVEL 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES USED IN THE FORM OF INHIBITORS OF 17β-HYDROXYSTEROIDDEHYDROGENASE OF TYPE 1 BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-12 WO claimed
EP-1526839-A1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY Nicox S.A. (FR) 2005-05-04 EP claimed
WO-2004000273-A1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX S.A. (FR) 2003-12-31 WO claimed
US-8691869-B2 Pharmaceutical formulation of nitrooxyderivatives of NSAIDs NICOX S.A. (FR) 2014-04-08 US disclosed
US-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX SA (FR) 2009-08-13 US disclosed
EP-1771461-A2 NOVEL 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES USED IN THE FORM OF INHIBITORS OF 17BETA-HYDROXYSTEROIDDEHYDROGENASE OF TYPE 1 Bayer Schering Pharma Aktiengesellschaft (DE) 2007-04-11 EP disclosed
EP-1526839-B1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX SA (FR) 2007-03-14 EP disclosed
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability NICOX S.A. (FR) 2006-08-03 US disclosed
WO-2006003013-A2 NOVEL 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES USED IN THE FORM OF INHIBITORS OF 17β-HYDROXYSTEROIDDEHYDROGENASE OF TYPE 1 BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-12 WO disclosed
EP-1526839-A1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY Nicox S.A. (FR) 2005-05-04 EP disclosed
WO-2004000273-A1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX S.A. (FR) 2003-12-31 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-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS FASN, PTGS1, NOS2 PTGS2 5/4885PTGS1 2/4885MAPT 3918/4885
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability ABCG2, SLCO1B1, SLCO4C1 PTGS2 653/4885PTGS1 515/4885MAPT 1241/4885

“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.