SCHEMBL3095745

SCHEMBL3095745

O=C(Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc2)cc1)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HCRTR1 O43613 4/20 0.52
HCRTR2 O43614 4/20 0.52
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
KMT2A Q03164 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
SCN3A Q9NY46 1/20 0.50
BRD4 O60885 1/20 0.49
DGAT1 O75907 3/20 0.49
JAK3 P52333 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL3092258 0.91 ALDH1A1 (0.53) ALDH1A1HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL3094736 0.90 ALDH1A1 (0.60) ALDH1A1HCRTR1HCRTR2MAPTNPSR1
SCHEMBL3091653 0.88 DGAT1 (0.61) ALDH1A1HCRTR1HCRTR2MAPTNPSR1
SCHEMBL3097184 0.86 HCRTR1 (0.62) ALDH1A1HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL3100401 0.83 HCRTR1 (0.61) ALDH1A1HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL3084064 0.83 LMNA (0.55) ALDH1A1MAPTNPSR1SMN1; SMN2MEN1
SCHEMBL3121197 0.83 GLA (0.65) ALDH1A1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3100378 0.83 GLA (0.65) ALDH1A1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3092934 0.82 MAPT (0.62) MAPTDGAT1JAK3
SCHEMBL3097288 0.80 HCRTR1 (0.63) ALDH1A1HCRTR1HCRTR2MAPTSMN1; SMN2

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-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

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 ALDH1A1 793/4885HCRTR1 912/4885HCRTR2 832/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 ALDH1A1 793/4885HCRTR1 912/4885HCRTR2 832/4885

“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.