SCHEMBL1761965

SCHEMBL1761965

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.83
CSGALNACT1 Q8TDX6 1/20 0.83
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALPL P05186 1/20 0.50
LMNA P02545 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
TNF P01375 1/20 0.48
NR2F2 P24468 1/20 0.48
MCL1 Q07820 1/20 0.48
KLF5 Q13887 1/20 0.48
NOD1 Q9Y239 1/20 0.48

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
SCHEMBL1761969 1.00 DGAT1 (0.83) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1762062 0.91 DGAT1 (1.00) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL161989 0.91 DGAT1 (1.00) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1762128 0.90 DGAT1 (0.88) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761880 0.90 DGAT1 (0.88) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761883 0.90 DGAT1 (0.88) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761474 0.90 DGAT1 (0.67) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761308 0.90 DGAT1 (0.67) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761309 0.90 DGAT1 (0.67) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761471 0.90 DGAT1 (0.67) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1

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.