SCHEMBL3097150

SCHEMBL3097150

CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 5/20 0.58
DGAT1 O75907 12/20 0.55
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 1/20 0.50

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
SCHEMBL3094363 1.00 CSGALNACT1 (0.58) CSGALNACT1DGAT1KDM4ENPSR1RXFP1
SCHEMBL3103436 0.91 CSGALNACT1 (0.57) CSGALNACT1DGAT1
SCHEMBL3094777 0.91 CSGALNACT1 (0.57) CSGALNACT1DGAT1
SCHEMBL3098978 0.89 DGAT1 (0.64) CSGALNACT1DGAT1MAPT
SCHEMBL3094818 0.89 DGAT1 (0.64) CSGALNACT1DGAT1MAPT
SCHEMBL3098968 0.87 DGAT1 (0.70) CSGALNACT1DGAT1KDM4ENPSR1MAPT
SCHEMBL3089017 0.87 DGAT1 (0.70) CSGALNACT1DGAT1KDM4ENPSR1MAPT
SCHEMBL3099965 0.85 DGAT1 (0.60) CSGALNACT1DGAT1
SCHEMBL3096067 0.84 DGAT1 (0.59) CSGALNACT1DGAT1
SCHEMBL3100517 0.84 DGAT1 (0.59) CSGALNACT1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US claimed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 US claimed
EP-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP claimed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO claimed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US disclosed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US disclosed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US disclosed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 US disclosed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 US disclosed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 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-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BCAT2, BCAT1, FABP4 CSGALNACT1 3844/4885DGAT1 2018/4885KDM4E 618/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 CSGALNACT1 3844/4885DGAT1 2018/4885KDM4E 618/4885

“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.