SCHEMBL1762011

SCHEMBL1762011

CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4cnccc4s3)cc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.69
CSGALNACT1 Q8TDX6 1/20 0.69
SCD O00767 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 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
Trifluoroacetic Acid SCHEMBL3389655 0.95 DGAT1 (0.65) DGAT1CSGALNACT1SCD
SCHEMBL1761825 0.87 DGAT1 (0.75) DGAT1CSGALNACT1SCDNPC1RAB9A
SCHEMBL1761505 0.87 DGAT1 (0.75) DGAT1CSGALNACT1SCDNPC1RAB9A
SCHEMBL1762153 0.86 DGAT1 (0.59) DGAT1CSGALNACT1SCDABL1
SCHEMBL3389661 0.86 DGAT1 (0.54) DGAT1CSGALNACT1SCDNPC1RAB9A
SCHEMBL12648321 0.85 DGAT1 (0.51) DGAT1CSGALNACT1SCDNPC1RAB9A
Trifluoroacetic Acid SCHEMBL1761434 0.83 DGAT1 (0.55) DGAT1CSGALNACT1ABL1
SCHEMBL161989 0.82 DGAT1 (1.00) DGAT1CSGALNACT1SCDNPC1RAB9A
SCHEMBL1762122 0.82 DGAT1 (0.79) DGAT1CSGALNACT1SCDNPC1
SCHEMBL1762062 0.82 DGAT1 (1.00) DGAT1CSGALNACT1SCDNPC1RAB9A

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
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
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 3157/4885SCD 141/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC DGAT1 486/4885CSGALNACT1 3157/4885SCD 141/4885

“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.