SCHEMBL3100378

SCHEMBL3100378

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(S(=O)(=O)N4CCC[C@H]4C(=O)O)cc3)cc2)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.65
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 2/20 0.51
PLAU P00749 1/20 0.50
HPN P05981 1/20 0.50
BRD4 O60885 1/20 0.49
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
HCRTR1 O43613 7/20 0.48
HCRTR2 O43614 7/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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 1.00 GLA (0.65) GLAALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL3092258 0.91 ALDH1A1 (0.53) GLAALDH1A1BRD4HCRTR1HCRTR2
SCHEMBL3097288 0.86 HCRTR1 (0.63) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL3084064 0.83 LMNA (0.55) GLAALDH1A1L3MBTL1TSHRBRD4
SCHEMBL3095745 0.83 ALDH1A1 (0.53) ALDH1A1BRD4MEN1KMT2AHCRTR1
SCHEMBL3094425 0.82 DGAT1 (0.53) ALDH1A1
SCHEMBL3094852 0.82 DGAT1 (0.53) ALDH1A1
SCHEMBL3094736 0.81 ALDH1A1 (0.60) ALDH1A1TSHRBRD4HCRTR1HCRTR2
SCHEMBL3100401 0.81 HCRTR1 (0.61) ALDH1A1L3MBTL1TSHRBRD4HCRTR1
SCHEMBL3105671 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EMAPK1TSHRBRD4

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 GLA 3992/4885ALDH1A1 793/4885KDM4E 618/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 GLA 3992/4885ALDH1A1 793/4885KDM4E 618/4885

“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.