SCHEMBL3100401

SCHEMBL3100401

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.61
HCRTR2 O43614 3/20 0.61
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 4/20 0.57
BRD4 O60885 2/20 0.56
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
BRD2 P25440 1/20 0.50
LMNA P02545 1/20 0.49
DGAT1 O75907 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 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 0.88 ALDH1A1 (0.60) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL20271460 0.88 ALDH1A1 (0.67) MAPTTHRBSMN1; SMN2ALDH1A1BRD4
SCHEMBL3084064 0.87 LMNA (0.55) MAPTTHRBSMN1; SMN2ALDH1A1BRD4
SCHEMBL3097288 0.86 HCRTR1 (0.63) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL3097184 0.86 HCRTR1 (0.62) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL20271477 0.84 BRD4 (0.71) MAPTALDH1A1BRD4TSHRL3MBTL1
SCHEMBL3092258 0.83 ALDH1A1 (0.53) HCRTR1HCRTR2MAPTTHRBSMN1; SMN2
SCHEMBL23787093 0.83 ALDH1A1 (0.65) MAPTTHRBSMN1; SMN2ALDH1A1BRD4
SCHEMBL3105671 0.83 ALDH1A1 (0.60) HCRTR1HCRTR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL3095745 0.83 ALDH1A1 (0.53) HCRTR1HCRTR2MAPTTHRBSMN1; 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 9 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

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.