SCHEMBL3105697

SCHEMBL3105697

CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3F)cc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CSGALNACT1 Q8TDX6 1/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 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
SCHEMBL27762396 1.00 DGAT1 (0.57) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3092180 0.84 DGAT1 (0.78) DGAT1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3094969 0.84 DGAT1 (0.71) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3084080 0.82 DGAT1 (0.57) DGAT1NPC1RAB9ACSGALNACT1
SCHEMBL21274412 0.82 POLB (0.57) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL21274414 0.82 POLB (0.57) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL3103199 0.81 DGAT1 (0.61) DGAT1CSGALNACT1
SCHEMBL3094687 0.81 MMP2 (0.68)
SCHEMBL4760256 0.81 DGAT1 (0.62) DGAT1NPC1RAB9ATDP1LMNA
SCHEMBL1750357 0.81 DGAT1 (0.62) DGAT1NPC1RAB9ATDP1LMNA

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-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
CN-101583352-A Preparation and use of biphenyl amino acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2009-11-18 CN 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 DGAT1 2018/4885MEN1 4210/4885KMT2A 636/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885MEN1 4210/4885KMT2A 636/4885

“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.