SCHEMBL3089092

SCHEMBL3089092

CC(C)(NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.57
HTT P42858 2/20 0.56
DGAT1 O75907 2/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KLK7 P49862 1/20 0.50
CSGALNACT1 Q8TDX6 1/20 0.49
GAA P10253 2/20 0.48
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48
PIK3CG P48736 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL3092811 0.81 MAPT (0.51) SMN1; SMN2NPC1RAB9AMAPTCSGALNACT1
SCHEMBL3094799 0.81 PTPN1 (0.58) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL3102653 0.80 KDM4E (0.56) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL3092860 0.80 EPHX2 (0.58) NPC1RAB9ADGAT1
SCHEMBL3097312 0.80 RAB9A (0.53) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL13181021 0.79 MAPT (0.45) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL3092820 0.79 IDH1 (0.50) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL13515935 0.78 EPHX2 (0.48) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL3096264 0.78 NPC1 (0.54) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL3096212 0.78 DGAT1 (0.80) SMN1; SMN2NPC1RAB9AMAPTLMNA

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