SCHEMBL3094536

SCHEMBL3094536

CC(C)(NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
MEN1 O00255 5/20 0.55
MAPT P10636 5/20 0.55
KMT2A Q03164 5/20 0.55
POLB P06746 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 5/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL3099662 0.91 MEN1 (0.57) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3094799 0.88 PTPN1 (0.58) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3105791 0.86 MEN1 (0.56) MEN1KMT2ANPSR1KDM4E
SCHEMBL3102653 0.86 KDM4E (0.56) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3096264 0.85 NPC1 (0.54) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3096809 0.84 RAB9A (0.51) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3105673 0.83 EPHX1 (0.54) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3095885 0.83 MEN1 (0.46) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3102716 0.81 KMT2A (0.58) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3097312 0.81 RAB9A (0.53) NPC1RAB9AMAPTKMT2APOLB

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 NPC1 2959/4885RAB9A 1741/4885MEN1 4210/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 NPC1 2959/4885RAB9A 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.