SCHEMBL3094728

SCHEMBL3094728

CN(C(=O)c1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1)C(C)(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.62
RAB9A P51151 4/20 0.55
MITF O75030 1/20 0.54
NPC1 O15118 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
PTPN11 Q06124 3/20 0.49
PTPN6 P29350 1/20 0.49
PTPN2 P17706 1/20 0.47
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL3099910 0.90 PTPN1 (0.49) PTPN1RAB9AMITFNPC1
SCHEMBL3103305 0.89 NPC1 (0.56) PTPN1RAB9ANPC1ALDH1A1MAPT
SCHEMBL3095746 0.88 NPC1 (0.57) PTPN1RAB9ANPC1KMT2AMAPK1
SCHEMBL3100026 0.85 NR1H4 (0.48) PTPN1RAB9AALDH1A1
SCHEMBL3096423 0.85 KCNQ3 (0.48) PTPN1RAB9ANPC1MEN1KMT2A
SCHEMBL3096270 0.85 SLC2A1 (0.49) PTPN1RAB9ANPC1MEN1KMT2A
SCHEMBL3100715 0.85 PTPN1 (0.43) PTPN1RAB9ANPC1MEN1KMT2A
SCHEMBL5133709 0.84 MEN1 (0.52) PTPN1RAB9ANPC1MEN1KMT2A
SCHEMBL3102506 0.83 KMT2A (0.55) PTPN1RAB9ANPC1MEN1KMT2A
SCHEMBL3099892 0.83 NPC1 (0.50) PTPN1RAB9ANPC1MEN1KMT2A

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 10 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
EP-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP claimed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO 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 PTPN1 2680/4885RAB9A 1741/4885MITF 1341/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 PTPN1 2680/4885RAB9A 1741/4885MITF 1341/4885

“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.