SCHEMBL3100517

SCHEMBL3100517

CC(C)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.59
CSGALNACT1 Q8TDX6 7/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
EPHX1 P07099 2/20 0.51
EPHX2 P34913 2/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
PDE3A Q14432 1/20 0.50
NLRP3 Q96P20 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
SCHEMBL3096067 1.00 DGAT1 (0.59) DGAT1CSGALNACT1CA1CA2EPHX1
SCHEMBL3094913 0.91 DGAT1 (0.57) DGAT1CSGALNACT1CA2NPC1
SCHEMBL3091823 0.91 DGAT1 (0.57) DGAT1CSGALNACT1CA2NPC1
SCHEMBL13515609 0.90 DGAT1 (0.61) DGAT1CSGALNACT1MEN1NPC1LMNA
SCHEMBL3105716 0.89 CA1 (0.56) DGAT1CA1CA2MEN1NPC1
SCHEMBL3094818 0.88 DGAT1 (0.64) DGAT1CSGALNACT1CA1CA2MEN1
SCHEMBL3098978 0.88 DGAT1 (0.64) DGAT1CSGALNACT1CA1CA2MEN1
SCHEMBL3099965 0.87 DGAT1 (0.60) DGAT1CSGALNACT1
SCHEMBL3103336 0.85 DGAT1 (0.69) DGAT1CSGALNACT1NPC1KMT2A
SCHEMBL3103324 0.85 DGAT1 (0.69) DGAT1CSGALNACT1NPC1KMT2A

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 8 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
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 DGAT1 2018/4885CSGALNACT1 3844/4885CA1 4445/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885CSGALNACT1 3844/4885CA1 4445/4885

“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.