SCHEMBL3096809

SCHEMBL3096809

CC(C)(NC(=O)c1ccc(-c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CNR1 P21554 4/20 0.47
P2RY1 P47900 1/20 0.46
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
DGAT1 O75907 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
NLRP1 Q9C000 1/20 0.43
AR P10275 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3096264 0.91 NPC1 (0.54) RAB9AMEN1MAPTKMT2ACNR1
SCHEMBL3105791 0.87 MEN1 (0.56) MEN1KMT2ANPSR1CNR1
SCHEMBL3105673 0.86 EPHX1 (0.54) RAB9AMEN1MAPTKMT2ANPSR1
SCHEMBL3094799 0.85 PTPN1 (0.58) RAB9AMEN1MAPTKMT2AEPHX2
SCHEMBL3102653 0.85 KDM4E (0.56) RAB9AMEN1MAPTKMT2ANPSR1
SCHEMBL3094536 0.84 NPC1 (0.55) RAB9AMEN1MAPTKMT2ANPSR1
SCHEMBL3097312 0.84 RAB9A (0.53) RAB9AMAPTKMT2AEPHX2NR1H4
SCHEMBL3092820 0.84 IDH1 (0.50) RAB9AMEN1MAPTKMT2ANPSR1
SCHEMBL3097120 0.84 KIF11 (0.50) RAB9AMEN1KMT2AEPHX2NR1H4
SCHEMBL13515935 0.83 EPHX2 (0.48) RAB9AMAPTKMT2AEPHX2NR1H4

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 RAB9A 1741/4885MEN1 4210/4885MAPT 3315/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 RAB9A 1741/4885MEN1 4210/4885MAPT 3315/4885

“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.