SCHEMBL3100454

SCHEMBL3100454

CCOc1ccccc1NC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
DGAT1 O75907 1/20 0.54
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
BRD4 O60885 1/20 0.51
THRB P10828 1/20 0.49
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL3091653 0.83 DGAT1 (0.61) LMNAALDH1A1KMT2APOLBMAPT
SCHEMBL3105671 0.82 ALDH1A1 (0.60) ALDH1A1KMT2APOLBMAPTGAA
SCHEMBL20271477 0.81 BRD4 (0.71) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL3088888 0.79 ALDH1A1 (0.56) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL3094736 0.79 ALDH1A1 (0.60) LMNAALDH1A1POLBMAPTDGAT1
SCHEMBL20271460 0.78 ALDH1A1 (0.67) LMNAALDH1A1KMT2AMAPTGAA
SCHEMBL13153064 0.78 HCRTR1 (0.52) LMNAALDH1A1DGAT1HCRTR1HCRTR2
SCHEMBL3121197 0.78 GLA (0.65) ALDH1A1KMT2AMEN1BRD4HCRTR1
SCHEMBL3100378 0.78 GLA (0.65) ALDH1A1KMT2AMEN1BRD4HCRTR1
SCHEMBL3084064 0.78 LMNA (0.55) LMNAALDH1A1KMT2AMAPTDGAT1

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 LMNA 1973/4885ALDH1A1 793/4885KMT2A 636/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 LMNA 1973/4885ALDH1A1 793/4885KMT2A 636/4885

“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.