SCHEMBL3094852

SCHEMBL3094852

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N4CCC[C@@H]4C(=O)O)cc3)cc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.53
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
ITGA4 P13612 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CA2 P00918 1/20 0.45

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
SCHEMBL3094425 1.00 DGAT1 (0.53) DGAT1APOBEC3AAPOBEC3GITGB3ITGB1
SCHEMBL3094423 0.97 DGAT1 (0.50) DGAT1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL3103397 0.86 DGAT1 (0.57) DGAT1ALDH1A1CA2
SCHEMBL3103290 0.84 DGAT1 (0.56) DGAT1ITGB3ITGB1ITGAVITGA5
SCHEMBL3103131 0.84 DGAT1 (0.54) DGAT1ALDH1A1CA2
SCHEMBL3100494 0.83 DGAT1 (0.53) DGAT1ALDH1A1
SCHEMBL3094864 0.83 DGAT1 (0.58) DGAT1ITGB3ITGB1ITGAVITGA5
SCHEMBL3108692 0.82 DGAT1 (0.59) DGAT1
SCHEMBL3092934 0.82 MAPT (0.62) DGAT1
SCHEMBL3121161 0.82 DGAT1 (0.59) DGAT1

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 DGAT1 2018/4885APOBEC3A 1632/4885APOBEC3G 1318/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885APOBEC3A 1632/4885APOBEC3G 1318/4885

“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.