SCHEMBL1761674

SCHEMBL1761674

CC(C)C[C@@H](NC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.75
CSGALNACT1 Q8TDX6 1/20 0.75
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ALPL P05186 1/20 0.51
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
TNF P01375 1/20 0.49
NR2F2 P24468 1/20 0.49
MCL1 Q07820 1/20 0.49
KLF5 Q13887 1/20 0.49
NOD1 Q9Y239 1/20 0.49

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
SCHEMBL1761804 1.00 DGAT1 (0.75) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761332 0.91 DGAT1 (0.75) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761426 0.91 DGAT1 (0.62) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1762016 0.90 DGAT1 (0.73) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761380 0.90 DGAT1 (0.61) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761549 0.90 DGAT1 (0.61) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761335 0.90 DGAT1 (0.61) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761556 0.89 DGAT1 (0.60) DGAT1CSGALNACT1LRRK2CASP3SENP8
SCHEMBL1761683 0.89 DGAT1 (0.73) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1762031 0.89 DGAT1 (0.60) DGAT1CSGALNACT1MAPTNPC1LRRK2

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 8 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
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

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.