SCHEMBL3098978

SCHEMBL3098978

CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.64
CSGALNACT1 Q8TDX6 7/20 0.53
FPR2 P25090 1/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NLRP1 Q9C000 1/20 0.51
CA2 P00918 2/20 0.50
CA1 P00915 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
SCHEMBL3094818 1.00 DGAT1 (0.64) DGAT1CSGALNACT1FPR2MEN1NPC1
SCHEMBL3084106 0.94 DGAT1 (0.56) DGAT1NPC1RAB9ASMN1; SMN2CA2
SCHEMBL3099965 0.91 DGAT1 (0.60) DGAT1CSGALNACT1FPR2
SCHEMBL3094363 0.89 CSGALNACT1 (0.58) DGAT1CSGALNACT1MAPT
SCHEMBL3097150 0.89 CSGALNACT1 (0.58) DGAT1CSGALNACT1MAPT
SCHEMBL3096067 0.88 DGAT1 (0.59) DGAT1CSGALNACT1MEN1NPC1HTT
SCHEMBL3100517 0.88 DGAT1 (0.59) DGAT1CSGALNACT1MEN1NPC1HTT
SCHEMBL3094777 0.88 CSGALNACT1 (0.57) DGAT1CSGALNACT1
SCHEMBL3103436 0.88 CSGALNACT1 (0.57) DGAT1CSGALNACT1
SCHEMBL13515609 0.87 DGAT1 (0.61) DGAT1CSGALNACT1MEN1NPC1MAPT

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 3844/4885FPR2 1461/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885CSGALNACT1 3844/4885FPR2 1461/4885

“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.