SCHEMBL3099535

SCHEMBL3099535

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N(C)[C@H](C(=O)O)C(C)C)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CSGALNACT1 Q8TDX6 1/20 0.43
KIF11 P52732 1/20 0.42
NPC1 O15118 3/20 0.41
NAMPT P43490 1/20 0.41
IDO1 P14902 1/20 0.40
DGAT1 O75907 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL3099609 0.89 MEN1 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3097134 0.87 KMT2A (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3095933 0.85 EPHX1 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3089027 0.83 NPC1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2CSGALNACT1
SCHEMBL3087347 0.83 IDH1 (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2CSGALNACT1
SCHEMBL3095777 0.81 PTPN1 (0.61) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3102885 0.81 SMN1; SMN2 (0.55) MAPTRAB9ASMN1; SMN2CSGALNACT1NPC1
SCHEMBL3091625 0.81 MAPT (0.48) MAPTRAB9ASMN1; SMN2CSGALNACT1NPC1
SCHEMBL3103323 0.81 NPC1 (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3096929 0.81 PTPN1 (0.59) RAB9ASMN1; SMN2NPC1DGAT1MEN1

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 8 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
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 ALDH1A1 793/4885MAPT 3315/4885RAB9A 1741/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 ALDH1A1 793/4885MAPT 3315/4885RAB9A 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.