SCHEMBL3094736

SCHEMBL3094736

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
SCN3A Q9NY46 1/20 0.60
DGAT1 O75907 1/20 0.58
HCRTR1 O43613 2/20 0.57
HCRTR2 O43614 2/20 0.57
BRD4 O60885 1/20 0.56
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.52
HTT P42858 1/20 0.51
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3095745 0.90 ALDH1A1 (0.53) ALDH1A1SCN3ADGAT1HCRTR1HCRTR2
SCHEMBL3097184 0.89 HCRTR1 (0.62) ALDH1A1SCN3AHCRTR1HCRTR2BRD4
SCHEMBL3092258 0.88 ALDH1A1 (0.53) ALDH1A1SCN3ADGAT1HCRTR1HCRTR2
SCHEMBL3100401 0.88 HCRTR1 (0.61) ALDH1A1DGAT1HCRTR1HCRTR2BRD4
SCHEMBL3091653 0.87 DGAT1 (0.61) ALDH1A1SCN3ADGAT1HCRTR1HCRTR2
SCHEMBL20271477 0.87 BRD4 (0.71) ALDH1A1BRD4MMP2MMP9TSHR
SCHEMBL2704403 0.87 ALDH1A1 (0.64) ALDH1A1SCN3AHCRTR1HCRTR2TSHR
SCHEMBL893933 0.87 ALDH1A1 (0.64) ALDH1A1SCN3AHCRTR1HCRTR2TSHR
SCHEMBL23787093 0.86 ALDH1A1 (0.65) ALDH1A1SCN3ABRD4MMP2MMP9
SCHEMBL20271460 0.86 ALDH1A1 (0.67) ALDH1A1BRD4TSHRLMNAMAPT

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 6 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

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 793/4885SCN3A 3201/4885DGAT1 2018/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 ALDH1A1 793/4885SCN3A 3201/4885DGAT1 2018/4885

“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.