SCHEMBL3100283

SCHEMBL3100283

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)NC(C)(C)C(=O)O)cc3)cc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
KMT2A Q03164 2/20 0.56
FKBP5 Q13451 1/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CSGALNACT1 Q8TDX6 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
POLB P06746 2/20 0.44
DGAT1 O75907 1/20 0.43
AR P10275 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
PIM1 P11309 1/20 0.43
RPS6KB1 P23443 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
SCHEMBL3097312 0.87 RAB9A (0.53) RAB9ANPC1KMT2AALDH1A1EPHX2
SCHEMBL13515935 0.86 EPHX2 (0.48) RAB9ANPC1KMT2AEPHX2NR1H4
SCHEMBL3094799 0.85 PTPN1 (0.58) RAB9ANPC1KMT2AALDH1A1EPHX2
SCHEMBL3084085 0.84 KMT2A (0.48) RAB9AKMT2AALDH1A1EPHX2NR1H4
SCHEMBL3105673 0.84 EPHX1 (0.54) RAB9ANPC1KMT2AEPHX2POLB
SCHEMBL3092820 0.84 IDH1 (0.50) RAB9ANPC1KMT2AALDH1A1NR1H4
SCHEMBL3092811 0.83 MAPT (0.51) RAB9ANPC1KMT2AALDH1A1CSGALNACT1
SCHEMBL3096264 0.83 NPC1 (0.54) RAB9ANPC1KMT2AALDH1A1EPHX2
SCHEMBL3096809 0.82 RAB9A (0.51) RAB9ANPC1KMT2AEPHX2NR1H4
SCHEMBL3092860 0.82 EPHX2 (0.58) RAB9ANPC1EPHX2NR1H4DGAT1

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 RAB9A 1741/4885NPC1 2959/4885KMT2A 636/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 RAB9A 1741/4885NPC1 2959/4885KMT2A 636/4885

“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.