SCHEMBL3096929

SCHEMBL3096929

CC(C)[C@@H](C(=O)O)N(C)C(=O)c1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.59
RAB9A P51151 6/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MITF O75030 1/20 0.51
NPC1 O15118 4/20 0.49
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
PTPN11 Q06124 3/20 0.47
PTPN6 P29350 1/20 0.47
DGAT1 O75907 2/20 0.47
PTPN2 P17706 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL3100147 0.88 MAPT (0.49) PTPN1RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL3105614 0.88 PTPN1 (0.62) PTPN1RAB9AMEN1KMT2APOLB
SCHEMBL3092704 0.86 NR1H4 (0.46) PTPN1RAB9AMEN1KMT2ANPC1
SCHEMBL3105900 0.85 PTPN1 (0.41) PTPN1RAB9AMEN1KMT2ANPC1
SCHEMBL3083744 0.84 NPC1 (0.53) RAB9AMEN1KMT2ANPC1TDP1
SCHEMBL3103323 0.84 NPC1 (0.48) PTPN1RAB9AMEN1KMT2ANPC1
SCHEMBL3087236 0.83 MEN1 (0.51) RAB9AMEN1KMT2ANPC1DGAT1
SCHEMBL3100204 0.82 MEN1 (0.55) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3098838 0.82 ADAMTS4 (0.61) PTPN1MEN1KMT2APOLBMITF
SCHEMBL3102885 0.82 SMN1; SMN2 (0.55) RAB9AMEN1KMT2APOLBNPC1

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 1741/4885MEN1 4210/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 PTPN1 2680/4885RAB9A 1741/4885MEN1 4210/4885

“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.