SCHEMBL3097184

SCHEMBL3097184

O=C(Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc2)cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.62
HCRTR2 O43614 6/20 0.62
MAPT P10636 1/20 0.58
THRB P10828 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.56
BRD4 O60885 1/20 0.52
TSHR P16473 2/20 0.52
RECQL P46063 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SCN3A Q9NY46 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
SCHEMBL3094736 0.89 ALDH1A1 (0.60) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL3100401 0.86 HCRTR1 (0.61) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL3095745 0.86 ALDH1A1 (0.53) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL3091653 0.86 DGAT1 (0.61) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL3097288 0.85 HCRTR1 (0.63) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL23787099 0.85 BRD4 (0.60) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL3092258 0.84 ALDH1A1 (0.53) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL20271477 0.83 BRD4 (0.71) MAPTALDH1A1BRD4TSHRRECQL
SCHEMBL23787093 0.82 ALDH1A1 (0.65) MAPTTHRBSMN1; SMN2ALDH1A1BRD4
SCHEMBL20271460 0.82 ALDH1A1 (0.67) MAPTTHRBSMN1; SMN2ALDH1A1BRD4

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 HCRTR1 912/4885HCRTR2 832/4885MAPT 3315/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 HCRTR1 912/4885HCRTR2 832/4885MAPT 3315/4885

“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.