SCHEMBL5605673

SCHEMBL5605673

CC(=O)Oc1ccccc1C(=O)Oc1cccc(CCO[N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
ALOX5 P09917 1/20 0.46
HSD17B10 Q99714 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPT P10636 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CCR6 P51684 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 2/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40

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
Ncx-4016 SCHEMBL19524 0.89 PTGS2 (0.57) PTGS2ALOX5HSD17B10KDM4ELMNA
Ncx-4016 SCHEMBL29813476 0.89 PTGS2 (0.57) PTGS2ALOX5HSD17B10KDM4ELMNA
Ncx-4016 SCHEMBL29546681 0.89 PTGS2 (0.57) PTGS2ALOX5HSD17B10KDM4ELMNA
SCHEMBL4328024 0.85 PTGS2 (0.54) PTGS2ALOX5HSD17B10KDM4ELMNA
SCHEMBL12268174 0.81 PTGS2 (0.60) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL16010711 0.80 PTGS2 (0.53) PTGS2ALOX5HSD17B10KDM4ELMNA
SCHEMBL2547980 0.80 PTGS2 (0.62) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL15889887 0.80 PTGS2 (0.85) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4335260 0.79 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4325931 0.79 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 (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-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability ABCG2, SLCO1B1, SLCO4C1 PTGS2 653/4885ALOX5 613/4885HSD17B10 1027/4885

“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.