SCHEMBL3102885

SCHEMBL3102885

CC(C)[C@@H](C(=O)O)N(C)C(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
DGAT1 O75907 3/20 0.54
HTT P42858 2/20 0.52
CSGALNACT1 Q8TDX6 1/20 0.51
HRH3 Q9Y5N1 2/20 0.48
POLB P06746 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
RECQL P46063 1/20 0.45
GAA P10253 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL3096247 0.90 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL3094509 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL3091625 0.82 MAPT (0.48) SMN1; SMN2NPC1RAB9AMAPTCSGALNACT1
SCHEMBL3096929 0.82 PTPN1 (0.59) SMN1; SMN2NPC1RAB9ADGAT1HTT
SCHEMBL3099535 0.81 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL3087347 0.81 IDH1 (0.44) SMN1; SMN2NPC1RAB9AMAPTCSGALNACT1
SCHEMBL3099609 0.80 MEN1 (0.49) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL3096212 0.79 DGAT1 (0.80) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL3095825 0.79 DGAT1 (0.80) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL3089027 0.79 NPC1 (0.54) 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 6 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-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 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.