SCHEMBL5494779

SCHEMBL5494779

CC(=O)N(C(=O)C(C)c1ccc(CC(C)C)cc1)[C@H](CS)C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
FAAH O00519 2/20 0.43
PTGS1 P23219 4/20 0.39
ALOX5 P09917 2/20 0.39
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1C3 P42330 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38
RARB P10826 1/20 0.38
ADRB3 P13945 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
NR1I3 Q14994 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
CXCL8 P10145 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL5605151 0.83 PTGS2 (0.66) PTGS2FAAHPTGS1ALOX5LMNA
SCHEMBL5605608 0.82 PTGS2 (0.65) PTGS2FAAHPTGS1ALOX5LMNA
SCHEMBL5605936 0.81 PTGS2 (0.66) PTGS2FAAHPTGS1ALOX5LMNA
SCHEMBL5140144 0.80 PTGS1 (0.45) PTGS2FAAHPTGS1LMNACYP2C9
Ibuprofen SCHEMBL7573168 0.78 PTGS2 (0.48) PTGS2FAAHPTGS1ALOX5LMNA
SCHEMBL5605752 0.77 PTGS1 (0.57) PTGS2FAAHPTGS1ALOX5LMNA
Hydrochloric Acid SCHEMBL7105345 0.73 PTGS2 (0.55) PTGS2FAAHPTGS1ALOX5LMNA
SCHEMBL14188621 0.72 PTGS2 (0.48) PTGS2FAAHPTGS1ALOX5LMNA
SCHEMBL12884181 0.70 PTGS2 (0.64) PTGS2FAAHPTGS1ALOX5LMNA
SCHEMBL13291869 0.67 PTGS2 (0.60) PTGS2FAAHPTGS1ALOX5LMNA

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
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
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US disclosed
EP-1492543-A1 DRUGS FOR THE ARTHRITIS TREATMENT Nicox S.A. (FR) 2005-01-05 EP disclosed
WO-2003084550-A1 DRUGS FOR THE ARTHRITIS TREATMENT NICOX S.A. (FR) 2003-10-16 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-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability ABCG2, SLCO1B1, SLCO4C1 PTGS2 653/4885FAAH 2065/4885PTGS1 515/4885
US-20070010458-A1 Drugs for the arthritis treatment PTGS1, ADORA2B, PTGS2 PTGS2 3/4885FAAH 427/4885PTGS1 1/4885

“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.