SCHEMBL512447

SCHEMBL512447

NC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.65
PTGS2 P35354 3/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPT P10636 2/20 0.65
CXCR1 P25024 2/20 0.65
CXCR2 P25025 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HSD17B10 Q99714 2/20 0.65
CYP3A4 P08684 2/20 0.65
RECQL P46063 1/20 0.65
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.65
HPGD P15428 1/20 0.65
MAPK1 P28482 1/20 0.65
PMP22 Q01453 1/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
CXCL8 P10145 1/20 0.65
THPO P40225 1/20 0.65
HIF1A Q16665 1/20 0.65
TDP1 Q9NUW8 2/20 0.59

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
SCHEMBL11726351 0.98 ALDH1A1 (0.63) PTGS1PTGS2ALDH1A1MAPTCXCR1
Methane SCHEMBL11460137 0.98 ALDH1A1 (0.63) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL11730195 0.98 ALDH1A1 (0.63) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL11727137 0.98 ALDH1A1 (0.63) PTGS1PTGS2ALDH1A1MAPTCXCR1
Water SCHEMBL11460877 0.97 ALDH1A1 (0.61) PTGS1PTGS2ALDH1A1MAPTCXCR1
Water SCHEMBL11467024 0.97 ALDH1A1 (0.61) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL55801 0.89 MEN1 (0.54) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL11462125 0.89 SMN1; SMN2 (0.53) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL10941685 0.89 PTGS1 (0.53) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL3146429 0.88 MAPT (0.58) PTGS1PTGS2ALDH1A1MAPTCXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114224830-A Single-dose bacteriostatic-free ophthalmic preparation and preparation method thereof 辰欣药业股份有限公司 2022-03-25 CN claimed
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
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 CN 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-4221716-A Intermediate and process for the preparation of 7-acylindolin-2-ones A. H. ROBINS COMPANY, INC. (US) 1980-09-09 US claimed
US-4045576-A ANTI-INFLAMMATORY METHODS USING 2-AMINO-3-(5- AND 6-)BENZOYLPHENYLACETIC ACIDS, ESTERS AND METAL SALTS THEREOF AND THE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-30 US claimed
JP-1265074-A None JP disclosed
CN-118615245-A Sodium bromfenac eye drops and preparation method thereof 武汉五景药业有限公司 2024-09-10 CN disclosed
US-4182774-A Method of inhibiting blood platelet aggregation with 2-amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts thereof A. H. ROBINS COMPANY, INCORPORATED (US) 1980-01-08 US disclosed
US-4126635-A ANTICHOLESTEROL, BLOOD PLATELET AGGREGATION INHIBITION A. H. ROBINS COMPANY, INCORPORATED (US) 1978-11-21 US disclosed
US-4045576-A ANTI-INFLAMMATORY METHODS USING 2-AMINO-3-(5- AND 6-)BENZOYLPHENYLACETIC ACIDS, ESTERS AND METAL SALTS THEREOF AND THE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-30 US disclosed