SCHEMBL1748125

SCHEMBL1748125

Cc1ccc2nc(Nc3ccc(-c4ccc(C(=O)C5CCCC5C(=O)O)cc4)cc3)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.64
KCNK2 O95069 1/20 0.49
KCNK4 Q9NYG8 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
CSGALNACT1 Q8TDX6 1/20 0.47
LCK P06239 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DYRK1A Q13627 1/20 0.45
MAP3K5 Q99683 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
SCHEMBL1748124 1.00 DGAT1 (0.64) DGAT1KCNK2KCNK4NPC1RAB9A
SCHEMBL1748123 1.00 DGAT1 (0.64) DGAT1KCNK2KCNK4NPC1RAB9A
SCHEMBL6032263 1.00 DGAT1 (0.64) DGAT1KCNK2KCNK4NPC1RAB9A
SCHEMBL2308884 0.89 DGAT1 (0.60) DGAT1CSGALNACT1LCK
SCHEMBL2314966 0.89 DGAT1 (0.60) DGAT1CSGALNACT1LCK
SCHEMBL2308048 0.89 DGAT1 (0.60) DGAT1CSGALNACT1LCK
SCHEMBL2308770 0.89 DGAT1 (0.64) DGAT1NPC1RAB9ACSGALNACT1DYRK1A
SCHEMBL12430212 0.89 DGAT1 (0.80) DGAT1NPC1RAB9ACSGALNACT1KDM4E
SCHEMBL2306708 0.89 DGAT1 (0.64) DGAT1NPC1RAB9ACSGALNACT1DYRK1A
SCHEMBL2310427 0.89 DGAT1 (0.80) DGAT1NPC1RAB9ACSGALNACT1KDM4E

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 DGAT1 34/4885KCNK2 2158/4885KCNK4 2731/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885KCNK2 2158/4885KCNK4 2731/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885KCNK2 2158/4885KCNK4 2731/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885KCNK2 2158/4885KCNK4 2731/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885KCNK2 2158/4885KCNK4 2731/4885

“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.