SCHEMBL3092258

SCHEMBL3092258

Cc1cc(Cl)ccc1NC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HCRTR1 O43613 9/20 0.53
HCRTR2 O43614 9/20 0.53
GLA P06280 1/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SCN3A Q9NY46 1/20 0.51
BRD4 O60885 1/20 0.48
DGAT1 O75907 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3121197 0.91 GLA (0.65) ALDH1A1HCRTR1HCRTR2GLABRD4
SCHEMBL3100378 0.91 GLA (0.65) ALDH1A1HCRTR1HCRTR2GLABRD4
SCHEMBL3095745 0.91 ALDH1A1 (0.53) ALDH1A1HCRTR1HCRTR2MAPTLMNA
SCHEMBL3094736 0.88 ALDH1A1 (0.60) ALDH1A1HCRTR1HCRTR2MAPTLMNA
SCHEMBL3097288 0.86 HCRTR1 (0.63) ALDH1A1HCRTR1HCRTR2GLAMAPT
SCHEMBL3097184 0.84 HCRTR1 (0.62) ALDH1A1HCRTR1HCRTR2MAPTLMNA
SCHEMBL3100401 0.83 HCRTR1 (0.61) ALDH1A1HCRTR1HCRTR2MAPTLMNA
SCHEMBL3091653 0.83 DGAT1 (0.61) ALDH1A1HCRTR1HCRTR2MAPTLMNA
SCHEMBL3084064 0.81 LMNA (0.55) ALDH1A1GLAMAPTLMNAHTT
SCHEMBL3105671 0.79 ALDH1A1 (0.60) ALDH1A1HCRTR1HCRTR2MAPTHTT

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.