SCHEMBL5140144

SCHEMBL5140144

CC(=O)N(C(=O)C(C)c1ccc(-c2ccccc2)c(F)c1)[C@H](CS)C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.45
PGR P06401 1/20 0.45
PDE4A P27815 1/20 0.45
PTGS2 P35354 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
FABP2 P12104 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C4 P17516 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2722631 0.85 PTGS1 (0.56) PTGS1PGRPDE4APTGS2MEN1
SCHEMBL29380153 0.85 PTGS1 (0.56) PTGS1PGRPDE4APTGS2MEN1
SCHEMBL135465 0.85 PTGS1 (0.56) PTGS1PGRPDE4APTGS2MEN1
SCHEMBL5605512 0.83 PTGS1 (0.56) PTGS1PGRPDE4APTGS2MEN1
SCHEMBL5605629 0.82 AKR1C3 (0.60) PTGS1PGRPDE4APTGS2MEN1
Flurbiprofen SCHEMBL7581730 0.82 AKR1C3 (0.52) PTGS1PGRPDE4APTGS2MEN1
SCHEMBL5494779 0.80 PTGS2 (0.50) PTGS1PTGS2AKR1C3AKR1C2TSHR
SCHEMBL14190063 0.76 PTGS1 (0.44) PTGS1PGRPDE4APTGS2MEN1
Hydrochloric Acid SCHEMBL7143180 0.76 PTGS1 (0.48) PTGS1PGRPDE4APTGS2MEN1
SCHEMBL12103285 0.75 PTGS1 (0.53) PTGS1PGRPDE4APTGS2MEN1

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 10 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-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US claimed
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability NICOX S.A. (FR) 2006-08-03 US claimed
US-7378412-B2 Pharmaceutical compounds NICOX S.A. (FR) 2008-05-27 US disclosed
EP-1169294-B1 PHARMACEUTICAL COMPOUNDS NICOX SA (FR) 2007-12-05 EP disclosed
EP-1526839-B1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX SA (FR) 2007-03-14 EP disclosed
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US disclosed
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability NICOX S.A. (FR) 2006-08-03 US disclosed
US-20050261242-A1 Pharmaceutical compounds NICOX, S.A. 2005-11-24 US disclosed
US-6869974-B1 Pharmaceutical compounds NICOX S.A. (FR) 2005-03-22 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 (3 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-20050261242-A1 Pharmaceutical compounds CYP2B6, CYP2C19, MAOB PTGS1 264/4885PGR 481/4885PDE4A 791/4885
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability ABCG2, SLCO1B1, SLCO4C1 PTGS1 515/4885PGR 894/4885PDE4A 1003/4885
US-20070010458-A1 Drugs for the arthritis treatment PTGS1, ADORA2B, PTGS2 PTGS1 1/4885PGR 2061/4885PDE4A 2746/4885

“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.