SCHEMBL1748168

SCHEMBL1748168

CCCC(CC(=O)c1ccc(Br)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
HDAC1 Q13547 6/20 0.43
HDAC3 O15379 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HAO1 Q9UJM8 1/20 0.41
HPGD P15428 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL5011173 0.84 GSK3B (0.40) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL1747922 0.82 ALDH1A1 (0.51) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL5006811 0.81 GSK3B (0.43) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL7861847 0.78 HSP90AA1 (0.50) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL180665 0.78 GSK3B (0.53) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL27704908 0.76 MAPT (0.47) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL20142949 0.76 GSK3B (0.52) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL5007292 0.76 HPGD (0.40) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL12430069 0.74 NPSR1 (0.45) HDAC3HPGDNPC1RAB9APOLB
SCHEMBL7862778 0.74 GSK3B (0.59) GSK3BHDAC1HDAC3HDAC2HDAC8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
EP-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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 (5 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC GSK3B 2741/4885HDAC1 361/4885HDAC3 75/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC GSK3B 2741/4885HDAC1 361/4885HDAC3 75/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC GSK3B 2741/4885HDAC1 361/4885HDAC3 75/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC GSK3B 2741/4885HDAC1 361/4885HDAC3 75/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC GSK3B 2741/4885HDAC1 361/4885HDAC3 75/4885

“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.