SCHEMBL3090986

SCHEMBL3090986

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.52
DGAT1 O75907 5/20 0.52
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 1/20 0.50
HTT P42858 2/20 0.49
ERAP2 Q6P179 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADORA2A P29274 1/20 0.48
MAPT P10636 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
CTDSP1 Q9GZU7 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
SCHEMBL3096832 1.00 PPARG (0.56) PPARGPPARAALDH1A1NPSR1GAA
SCHEMBL3094722 0.87 DGAT1 (0.53) PPARGPPARANPSR1DGAT1TP53
SCHEMBL3103461 0.84 GAA (0.69) PPARGPPARANPSR1GAADGAT1
SCHEMBL3092173 0.84 GAA (0.69) PPARGPPARANPSR1GAADGAT1
SCHEMBL3099786 0.83 GAA (0.74) PPARGPPARANPSR1GAADGAT1
SCHEMBL3098626 0.83 GAA (0.74) PPARGPPARANPSR1GAADGAT1
SCHEMBL3218942 0.81 NPSR1 (0.54) PPARGPPARANPSR1GAADGAT1
SCHEMBL3099766 0.80 DGAT1 (0.61) NPSR1GAADGAT1
SCHEMBL3087393 0.80 DGAT1 (0.61) NPSR1GAADGAT1
SCHEMBL3094415 0.79 ADAMTS4 (0.69)

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 PPARG 20/4885PPARA 30/4885ALDH1A1 793/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 PPARG 20/4885PPARA 30/4885ALDH1A1 793/4885

“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.