SCHEMBL1761831

SCHEMBL1761831

CC(C)C[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4ncc(C(F)(F)F)cc4s3)cc2)cc1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.41
CSGALNACT1 Q8TDX6 1/20 0.41
DHODH Q02127 1/20 0.39
HPGDS O60760 1/20 0.36
TAS1R3 Q7RTX0 9/20 0.36
TAS1R1 Q7RTX1 9/20 0.36
CNR2 P34972 1/20 0.35
GCGR P47871 3/20 0.34
CFTR P13569 1/20 0.34

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
SCHEMBL1761470 0.92 DHODH (0.40) DGAT1CSGALNACT1DHODHCFTR
SCHEMBL1761324 0.91 MAPK14 (0.36) DGAT1CSGALNACT1HPGDSTAS1R3TAS1R1
SCHEMBL1761762 0.89 DGAT1 (0.47) DGAT1CSGALNACT1DHODHHPGDSCNR2
Trifluoroacetic Acid SCHEMBL1761830 0.88 DGAT1 (0.46) DGAT1CSGALNACT1DHODHHPGDSCNR2
SCHEMBL1761530 0.88 PDE4B (0.39) DGAT1CSGALNACT1DHODHCNR2CFTR
SCHEMBL1761354 0.88 DGAT1 (0.44) DGAT1CSGALNACT1DHODHTAS1R3TAS1R1
SCHEMBL1761407 0.87 DGAT1 (0.42) DGAT1CSGALNACT1DHODHCNR2CFTR
SCHEMBL1761327 0.83 DGAT1 (0.36) DGAT1CSGALNACT1DHODH
SCHEMBL1762132 0.82 DGAT1 (0.47) DGAT1CSGALNACT1DHODHCFTR
Trifluoroacetic Acid SCHEMBL1761467 0.82 DGAT1 (0.45) DGAT1CSGALNACT1DHODHCFTR

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 4 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 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 3157/4885DHODH 2149/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC DGAT1 486/4885CSGALNACT1 3157/4885DHODH 2149/4885

“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.