SCHEMBL3087355

SCHEMBL3087355

Cc1cc(C(=O)Nc2ccc(-c3ccc(C(=O)N(C)[C@@H](C)C(=O)O)cc3)cc2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
IDO1 P14902 1/20 0.42
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
MCHR1 Q99705 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 2/20 0.39
DGAT1 O75907 2/20 0.39
NPC1 O15118 1/20 0.39
PLAU P00749 1/20 0.39
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38

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
SCHEMBL3117484 0.91 KCNQ3 (0.47) PTPN1IDO1CTNNB1TCF7L2KCNQ3
SCHEMBL3082282 0.90 NPC1 (0.50) PTPN1KCNQ3KCNQ2KMT2AMEN1
SCHEMBL3105900 0.89 PTPN1 (0.41) PTPN1IDO1CTNNB1TCF7L2KCNQ3
SCHEMBL3103118 0.85 PTPN1 (0.49) PTPN1KMT2AMEN1RAB9ADGAT1
SCHEMBL3105614 0.85 PTPN1 (0.62) PTPN1KMT2AMEN1RAB9ADGAT1
SCHEMBL3088525 0.82 MAPT (0.51) PTPN1MCHR1KMT2AMEN1RAB9A
SCHEMBL3100467 0.82 MEN1 (0.53) KCNQ3KCNQ2KMT2AMEN1RAB9A
SCHEMBL3100715 0.80 PTPN1 (0.43) PTPN1IDO1CTNNB1TCF7L2KCNQ3
SCHEMBL3091001 0.79 DGAT1 (0.49) PTPN1KMT2AMEN1RAB9ADGAT1
SCHEMBL3103323 0.79 NPC1 (0.48) PTPN1KCNQ3KCNQ2KMT2AMEN1

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-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 PTPN1 2680/4885IDO1 289/4885CTNNB1 1888/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 PTPN1 2680/4885IDO1 289/4885CTNNB1 1888/4885

“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.