SCHEMBL3094722

SCHEMBL3094722

CC(C)CCC(=O)Nc1ccc(-c2ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.53
NPSR1 Q6W5P4 1/20 0.50
PTPN1 P18031 1/20 0.50
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.46
CSGALNACT1 Q8TDX6 1/20 0.45
TP53 P04637 1/20 0.44
ERAP2 Q6P179 1/20 0.44

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
SCHEMBL3090986 0.87 PPARG (0.56) DGAT1NPSR1PPARGPPARATP53
SCHEMBL3096832 0.87 PPARG (0.56) DGAT1NPSR1PPARGPPARATP53
SCHEMBL3218942 0.79 NPSR1 (0.54) DGAT1NPSR1CA2CA1PPARG
SCHEMBL3099627 0.79 ADAMTS4 (0.70)
SCHEMBL3094969 0.79 DGAT1 (0.71) DGAT1PTPN1CA2CA1CSGALNACT1
SCHEMBL3084106 0.79 DGAT1 (0.56) DGAT1NPSR1PTPN1CA2CA1
SCHEMBL3103449 0.78 DGAT1 (0.56) DGAT1NPSR1CSGALNACT1
SCHEMBL13180994 0.78 DGAT1 (0.48) DGAT1NPSR1CA2CA1
SCHEMBL3094663 0.78 DGAT1 (0.56) DGAT1NPSR1CSGALNACT1
SCHEMBL13515578 0.78 DGAT1 (0.50) DGAT1NPSR1CA2CA1PPARG

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-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
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 2018/4885NPSR1 849/4885PTPN1 2680/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885NPSR1 849/4885PTPN1 2680/4885

“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.