SCHEMBL3096264

SCHEMBL3096264

CC(C)(NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.54
NLRP1 Q9C000 1/20 0.54
CNR1 P21554 6/20 0.53
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 1/20 0.46
SHMT1 P34896 1/20 0.46
SHMT2 P34897 1/20 0.46
ERAP1 Q9NZ08 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
SCHEMBL3096809 0.91 RAB9A (0.51) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3094799 0.89 PTPN1 (0.58) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3102653 0.88 KDM4E (0.56) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3105791 0.88 MEN1 (0.56) MEN1KMT2ACNR1
SCHEMBL3097312 0.88 RAB9A (0.53) NPC1SMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL3105673 0.87 EPHX1 (0.54) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3092820 0.87 IDH1 (0.50) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3097120 0.87 KIF11 (0.50) NPC1RAB9AMEN1KMT2AEPHX2
SCHEMBL13515935 0.86 EPHX2 (0.48) NPC1SMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL3755534 0.85 POLB (0.56) NPC1SMN1; SMN2RAB9AMEN1KMT2A

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 9 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

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 NPC1 2959/4885SMN1; SMN2 4427/4885RAB9A 1741/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 NPC1 2959/4885SMN1; SMN2 4427/4885RAB9A 1741/4885

“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.