SCHEMBL3094947

SCHEMBL3094947

O=C(Cc1cc(F)cc(F)c1)Nc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
THRB P10828 1/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 1/20 0.52
DGAT1 O75907 8/20 0.51
ALDH1A1 P00352 1/20 0.47
CA2 P00918 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
GYS1 P13807 2/20 0.43

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
SCHEMBL3083902 0.85 THRB (0.52) HSD11B1THRBALOX12KMT2ADGAT1
SCHEMBL13152705 0.78 L3MBTL1 (0.61) HSD11B1THRBALOX12KMT2ADGAT1
SCHEMBL3108692 0.77 DGAT1 (0.59) THRBALOX12KMT2ADGAT1
SCHEMBL3121161 0.77 DGAT1 (0.59) THRBALOX12KMT2ADGAT1
SCHEMBL3100723 0.77 DGAT1 (0.59) THRBALOX12KMT2ADGAT1CA2
SCHEMBL4226873 0.77 DGAT1 (0.62) DGAT1
SCHEMBL4226872 0.77 DGAT1 (0.62) DGAT1
SCHEMBL4226875 0.77 DGAT1 (0.62) DGAT1
SCHEMBL3092722 0.75 DGAT1 (0.64) HSD11B1THRBALOX12KMT2ADGAT1
SCHEMBL6290808 0.75 CA2 (0.66) HSD11B1THRBALOX12KMT2AALDH1A1

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-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 HSD11B1 1815/4885THRB 377/4885ALOX12 1611/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 HSD11B1 1815/4885THRB 377/4885ALOX12 1611/4885

“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.