SCHEMBL3097288

SCHEMBL3097288

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(S(=O)(=O)N4CCC[C@H]4C(=O)O)cc3)cc2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.63
HCRTR2 O43614 4/20 0.63
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
BRD4 O60885 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
GLA P06280 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL3092258 0.86 ALDH1A1 (0.53) HCRTR1HCRTR2ALDH1A1MAPTBRD4
SCHEMBL3100401 0.86 HCRTR1 (0.61) HCRTR1HCRTR2ALDH1A1MAPTBRD4
SCHEMBL3100378 0.86 GLA (0.65) HCRTR1HCRTR2ALDH1A1BRD4MMP2
SCHEMBL3121197 0.86 GLA (0.65) HCRTR1HCRTR2ALDH1A1BRD4MMP2
SCHEMBL3097184 0.85 HCRTR1 (0.62) HCRTR1HCRTR2ALDH1A1MAPTBRD4
SCHEMBL23787086 0.85 BRD4 (0.60) HCRTR1HCRTR2ALDH1A1MAPTBRD4
SCHEMBL3094736 0.85 ALDH1A1 (0.60) HCRTR1HCRTR2ALDH1A1MAPTBRD4
SCHEMBL3105671 0.84 ALDH1A1 (0.60) HCRTR1HCRTR2ALDH1A1MAPTGAA
SCHEMBL20271477 0.83 BRD4 (0.71) ALDH1A1MAPTBRD4MMP2MMP9
SCHEMBL23787093 0.82 ALDH1A1 (0.65) ALDH1A1MAPTBRD4MMP2MMP9

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

“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.