SCHEMBL1761345

SCHEMBL1761345

COc1cc(-c2ccc(Nc3nc4cccc(Cl)c4s3)cc2)ccc1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.49
CSGALNACT1 Q8TDX6 2/20 0.49
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 4/20 0.42
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.38
MMP14 P50281 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
KLF5 Q13887 1/20 0.37
TACR3 P29371 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL1761431 0.91 DGAT1 (0.53) DGAT1CSGALNACT1KMT2A
SCHEMBL1761357 0.90 DGAT1 (0.53) DGAT1CSGALNACT1MAPTALDH1A1NPC1
SCHEMBL1761320 0.89 DGAT1 (0.54) DGAT1CSGALNACT1ALDH1A1
SCHEMBL1761827 0.87 DGAT1 (0.58) DGAT1CSGALNACT1MAPTALDH1A1NPC1
SCHEMBL1761321 0.85 DGAT1 (0.60) DGAT1CSGALNACT1MAPTALDH1A1NPC1
SCHEMBL1761317 0.83 DGAT1 (0.55) DGAT1CSGALNACT1KMT2A
SCHEMBL1761444 0.82 DGAT1 (0.75) DGAT1CSGALNACT1MAPTALDH1A1NPC1
SCHEMBL1761502 0.82 DGAT1 (0.60) DGAT1CSGALNACT1MAPTALDH1A1NPC1
SCHEMBL1761820 0.80 DGAT1 (0.60) DGAT1CSGALNACT1MAPTALDH1A1NPC1
SCHEMBL1761749 0.79 DGAT1 (0.58) DGAT1CSGALNACT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US claimed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP claimed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US claimed
EP-1805156-A4 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2009-06-10 EP claimed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US claimed
EP-1805156-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2007-07-11 EP claimed
WO-2006044775-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO claimed
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US disclosed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 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 (2 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-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity FABP4, GPR119, PGC DGAT1 486/4885CSGALNACT1 3157/4885MAPT 3560/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC DGAT1 486/4885CSGALNACT1 3157/4885MAPT 3560/4885

“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.