SCHEMBL3099786

SCHEMBL3099786

CCCCc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
MAPK1 P28482 1/20 0.61
DGAT1 O75907 8/20 0.57
MAPT P10636 1/20 0.56
TRPV1 Q8NER1 1/20 0.54
PPARG P37231 2/20 0.53
PPARA Q07869 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RARB P10826 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CSGALNACT1 Q8TDX6 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
SCHEMBL3098626 1.00 GAA (0.74) GAAMAPK1DGAT1MAPTTRPV1
SCHEMBL3092173 0.94 GAA (0.69) GAAMAPK1DGAT1MAPTTRPV1
SCHEMBL3103461 0.94 GAA (0.69) GAAMAPK1DGAT1MAPTTRPV1
SCHEMBL3087393 0.89 DGAT1 (0.61) GAADGAT1NPSR1CSGALNACT1
SCHEMBL3099766 0.89 DGAT1 (0.61) GAADGAT1NPSR1CSGALNACT1
SCHEMBL3096832 0.83 PPARG (0.56) GAADGAT1MAPTPPARGPPARA
SCHEMBL3090986 0.83 PPARG (0.56) GAADGAT1MAPTPPARGPPARA
SCHEMBL3218942 0.82 NPSR1 (0.54) GAADGAT1PPARGPPARANPSR1
SCHEMBL2298167 0.82 CSGALNACT1 (0.75) CSGALNACT1
SCHEMBL3100460 0.81 DGAT1 (0.80) DGAT1CSGALNACT1

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 GAA 1025/4885MAPK1 3004/4885DGAT1 2018/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 GAA 1025/4885MAPK1 3004/4885DGAT1 2018/4885

“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.