SCHEMBL1748068

SCHEMBL1748068

O=C(O)C1CCCC1C(=O)c1ccc(-c2ccc(Nc3nc4c(F)cc(F)cc4s3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.63
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
TNF P01375 1/20 0.46
HTT P42858 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1747967 1.00 DGAT1 (0.63) DGAT1NPC1RAB9ALMNAGAA
SCHEMBL1748067 1.00 DGAT1 (0.63) DGAT1NPC1RAB9ALMNAGAA
SCHEMBL2309731 0.90 DGAT1 (0.51) DGAT1NPC1RAB9ALMNAGAA
SCHEMBL2306777 0.90 DGAT1 (0.51) DGAT1NPC1RAB9ALMNAGAA
SCHEMBL2309570 0.90 DGAT1 (0.78) DGAT1NPC1RAB9ALMNAGAA
SCHEMBL2308477 0.90 DGAT1 (0.78) DGAT1NPC1RAB9ALMNAGAA
SCHEMBL12528763 0.90 DGAT1 (0.51) DGAT1NPC1RAB9ALMNAGAA
SCHEMBL13760369 0.88 DGAT1 (0.49) DGAT1NPC1RAB9ALMNAGAA
Bicarbonate SCHEMBL2307161 0.87 NPC1 (0.53) DGAT1NPC1RAB9ALMNAGAA
Bicarbonate SCHEMBL2309733 0.86 NPC1 (0.57) DGAT1NPC1RAB9ALMNAGAA

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 10 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
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 34/4885NPC1 187/4885RAB9A 2066/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885

“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.