SCHEMBL4591107

SCHEMBL4591107

CC(C)c1ccc(C(=O)O)cc1C(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALOX15 P16050 2/20 0.53
HPGD P15428 6/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 2/20 0.52
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
KDM4E B2RXH2 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HPGDS O60760 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
PLA2G1B P04054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
DAO P14920 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
PSMD14 O00487 1/20 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
SCHEMBL10136508 0.79 LMNA (0.62) LMNAALOX15HPGDALDH1A1CYP2C9
SCHEMBL1355684 0.78 ACE2 (0.67) ALDH1A1KDM4EACE2TDP1HSD17B10
Hydrochloric Acid SCHEMBL10588359 0.77 LMNA (0.60) LMNAALOX15HPGDALDH1A1CYP2C9
SCHEMBL11243754 0.76 PLA2G1B (0.49) LMNAALOX15HPGDALDH1A1CYP2C9
SCHEMBL18645423 0.76 TDP1 (0.49) LMNAALOX15HPGDALDH1A1CYP2C9
SCHEMBL10428372 0.75 HPGD (0.54) LMNAHPGDALDH1A1CYP2C9PTGS1
SCHEMBL7009458 0.75 ACE2 (0.58) LMNAKDM4EACE2TDP1HTT
SCHEMBL8082149 0.75 PTGS1 (0.63) LMNAHPGDALDH1A1CYP2C9PTGS1
SCHEMBL8439895 0.74 HPGDS (0.78) LMNAALOX15HPGDALDH1A1CYP2C9
SCHEMBL13243338 0.74 ALOX15 (0.51) LMNAALOX15HPGDALDH1A1CYP2C9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879891-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-23 EP claimed
EP-1877410-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-16 EP claimed
WO-2006117315-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 WO claimed
WO-2006117316-A1 MUTUAL PRODRUG COMPOUNDS FOR USE US ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 WO claimed
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 US claimed
EP-1599175-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA Pharma AG (DE) 2005-11-30 EP claimed
WO-2005074930-A1 PHARMACEUTICAL COMBINATIONS OF (S) -PANTOPRAZOLE WITH NSAID OR CORTICOSTEROIDS ALTANA PHARMA AG (DE) 2005-08-18 WO claimed
US-20040242597-A1 Combination NYCOMED GMBH (DE) 2004-12-02 US claimed
WO-2004071391-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-08-26 WO claimed
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO claimed
US-8242146-B2 Administering ROFLUMILAS and DICLOFENAC; antiinflammatory agents NYCOMED GMBH (DE) 2012-08-14 US disclosed
US-20080255209-A1 Combination of a NSAID and a PDE-4 inhibitor NYCOMED GMBH (DE) 2008-10-16 US disclosed
EP-1879891-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-23 EP disclosed
EP-1877410-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-16 EP disclosed
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP disclosed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-4559343-A ANTIINFLAMMATORY AGENT WITH XANTHINE DERIVATIVE ALCON LABORATORIES, INC. (US) 1985-12-17 US disclosed
EP-0105635-A2 Nonirritating aqueous ophthalmic compositions comfort formulation for ocular therepeutic agents ALCON LABORATORIES, INC. (US) 1984-04-18 EP disclosed
US-4309421-A Stabilized parenterally administrable solutions A. NATTERMANN & CIE. GMBH (DE) 1982-01-05 US disclosed