SCHEMBL3574641

SCHEMBL3574641

CC(O)CN[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
MME P08473 6/20 0.50
ACE P12821 3/20 0.50
CPA1 P15085 2/20 0.50
ACE2 Q9BYF1 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GGT1 P19440 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL28871349 1.00 TP53 (0.51) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL7274206 0.88 ACE (0.54) MMEACECPA1ACE2L3MBTL1
SCHEMBL8855103 0.88 ACE (0.54) MMEACECPA1ACE2L3MBTL1
SCHEMBL10425352 0.87 FOLH1 (0.57) MMEACECPA1ACE2L3MBTL1
SCHEMBL9924201 0.84 MME (0.51) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL23925862 0.82 MME (0.56) CYP1A2MMEACECPA1ACE2
SCHEMBL1921156 0.82 MME (0.56) CYP1A2MMEACECPA1ACE2
SCHEMBL1921155 0.82 MME (0.56) CYP1A2MMEACECPA1ACE2
SCHEMBL6010262 0.82 MME (0.49) CYP1A2MMEL3MBTL1GGT1NPSR1
SCHEMBL6010258 0.82 MME (0.49) CYP1A2MMEL3MBTL1GGT1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804181-A4 METHOD AND COMPOSITION FOR TREATING MAMMALIAN DISEASES CAUSED BY INFLAMMATORY RESPONSE CELLULAR SCIENCES INC (US) 2005-02-02 EP claimed
EP-0804181-A1 METHOD AND COMPOSITION FOR TREATING MAMMALIAN DISEASES CAUSED BY INFLAMMATORY RESPONSE Cellular Sciences, Inc. (US) 1997-11-05 EP claimed
WO-1997010818-A1 METHOD AND COMPOSITION FOR TREATING MAMMALIAN DISEASES CAUSED BY INFLAMMATORY RESPONSE CELLULAR SCIENCES, INC. (US) 1997-03-27 WO claimed
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
CN-101252926-A Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INNODIA INC (CA) 2008-08-27 CN disclosed
CN-101193852-A 4-Hydroxyisoleucine analogs and uses thereof INNODIA INC (CA) 2008-06-04 CN disclosed
EP-1874287-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES Innodia Inc. (CA) 2008-01-09 EP disclosed
EP-1858840-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF Innodia Inc. (CA) 2007-11-28 EP disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 WO disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 US disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 US disclosed
EP-0804181-A4 METHOD AND COMPOSITION FOR TREATING MAMMALIAN DISEASES CAUSED BY INFLAMMATORY RESPONSE CELLULAR SCIENCES INC (US) 2005-02-02 EP disclosed
US-6482856-B1 Method and composition for treating mammalian disease caused by inflammatory response CELLULAR SCIENCES, INC. 2002-11-19 US disclosed
US-5952384-A CONTACTING THE MAMMALIAN CELL WITH AN INFLAMMATORY MEDIATOR SELECTED FROM THE GROUP CONSISTS OF PYRUVATE AND PYRUVATE PRECURSOR CAPABLE OF REDUCING UNDESIRED INFLAMMATORY RESPONSE AND IS ANTIOXIDANT CELLULAR SCIENCES, INC. (US) 1999-09-14 US disclosed
US-5939459-A CONTACTING WITH AN INFLAMMATORY MEDIATOR SELECTED FROM THE GROUP CONSISTING OF PYRUVATE AND A PYRUVATE PRECURSOR AND IS PRESENT IN AN AMOUNT CAPABLE OF REDUCING THE UNDESIRED INFLAMMATORY RESPONSE AND IS AN ANTIOXIDANT CELLULAR SCIENCES INC. (US) 1999-08-17 US disclosed
US-5798388-A ANTIOXIDANT, ANTIASTHMA, ADMINISTERING PYRUVATE WITHOUT ALBUTEROL CELLULAR SCIENCES, INC. (US) 1998-08-25 US disclosed
EP-0804181-A1 METHOD AND COMPOSITION FOR TREATING MAMMALIAN DISEASES CAUSED BY INFLAMMATORY RESPONSE Cellular Sciences, Inc. (US) 1997-11-05 EP disclosed
WO-1997010818-A1 METHOD AND COMPOSITION FOR TREATING MAMMALIAN DISEASES CAUSED BY INFLAMMATORY RESPONSE CELLULAR SCIENCES, INC. (US) 1997-03-27 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 (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-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC TP53 3898/4885CYP1A2 453/4885CYP2D6 372/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 TP53 2633/4885CYP1A2 347/4885CYP2D6 427/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE TP53 2171/4885CYP1A2 276/4885CYP2D6 207/4885

“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.