SCHEMBL5605151

SCHEMBL5605151

CC(C)Cc1ccc(C(C)C(=O)OCCCCO[N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.66
FAAH O00519 2/20 0.54
PTGS1 P23219 6/20 0.53
CXCR1 P25024 3/20 0.49
CXCR2 P25025 3/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49

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
SCHEMBL5605608 0.99 PTGS2 (0.65) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL5605936 0.97 PTGS2 (0.66) PTGS2FAAHPTGS1CXCR1CXCR2
Hydrochloric Acid SCHEMBL7105345 0.88 PTGS2 (0.55) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL12884181 0.86 PTGS2 (0.64) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL5494779 0.83 PTGS2 (0.50) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL13291869 0.82 PTGS2 (0.60) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL9523336 0.81 PTGS2 (0.59) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL3105481 0.81 PTGS2 (0.59) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL11446179 0.81 PTGS2 (0.59) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL2129263 0.81 PTGS2 (0.59) PTGS2FAAHPTGS1CXCR1CXCR2

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 6 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

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 653/4885FAAH 2065/4885PTGS1 515/4885

“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.