SCHEMBL3089017

SCHEMBL3089017

CC(C)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.70
CSGALNACT1 Q8TDX6 4/20 0.68
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 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
SCHEMBL3098968 1.00 DGAT1 (0.70) DGAT1CSGALNACT1MEN1MAPTKMT2A
SCHEMBL3099646 0.91 DGAT1 (0.62) DGAT1CSGALNACT1MEN1MAPTKMT2A
SCHEMBL3092480 0.91 DGAT1 (0.62) DGAT1CSGALNACT1MEN1MAPTKMT2A
SCHEMBL3097150 0.87 CSGALNACT1 (0.58) DGAT1CSGALNACT1MAPTNPSR1KDM4E
SCHEMBL3094363 0.87 CSGALNACT1 (0.58) DGAT1CSGALNACT1MAPTNPSR1KDM4E
SCHEMBL3092180 0.87 DGAT1 (0.78) DGAT1CSGALNACT1MAPTNPC1RAB9A
SCHEMBL3098978 0.86 DGAT1 (0.64) DGAT1CSGALNACT1MEN1MAPTKMT2A
SCHEMBL3094818 0.86 DGAT1 (0.64) DGAT1CSGALNACT1MEN1MAPTKMT2A
SCHEMBL3099965 0.85 DGAT1 (0.60) DGAT1CSGALNACT1
SCHEMBL3096067 0.84 DGAT1 (0.59) DGAT1CSGALNACT1MEN1KMT2ANPC1

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 7 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
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

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 2018/4885CSGALNACT1 3844/4885MEN1 4210/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885CSGALNACT1 3844/4885MEN1 4210/4885

“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.