SCHEMBL3089015

SCHEMBL3089015

COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc3)cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.83
MMP9 P14780 6/20 0.77
MMP13 P45452 6/20 0.69
MMP7 P09237 2/20 0.69
MMP1 P03956 1/20 0.69
MMP3 P08254 1/20 0.69
MMP8 P22894 1/20 0.69
MMP14 P50281 4/20 0.66
ADAMTS4 O75173 5/20 0.65
MMP12 P39900 1/20 0.58

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
SCHEMBL2195231 0.87 MMP2 (1.00) MMP2MMP9MMP13MMP7MMP1
SCHEMBL3099697 0.85 MMP2 (0.69) MMP2MMP9MMP13MMP7MMP1
SCHEMBL7761520 0.83 MMP2 (1.00) MMP2MMP9MMP13MMP7MMP1
SCHEMBL7761532 0.83 MMP2 (1.00) MMP2MMP9MMP13MMP7MMP1
SCHEMBL8283964 0.82 ADAMTS4 (0.84) MMP2MMP9MMP13MMP7MMP1
SCHEMBL3097138 0.82 MMP2 (0.68) MMP2MMP9MMP13MMP7MMP1
SCHEMBL3092810 0.81 MMP2 (0.77) MMP2MMP9MMP13MMP7MMP1
SCHEMBL3091604 0.81 MMP2 (0.77) MMP2MMP9MMP13MMP7MMP1
SCHEMBL3088538 0.81 MMP2 (0.67) MMP2MMP9MMP13MMP7MMP1
SCHEMBL8284841 0.81 ADAMTS4 (0.84) MMP2MMP9MMP13MMP7MMP1

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 9 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

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 MMP2 2401/4885MMP9 2453/4885MMP13 2261/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 MMP2 2401/4885MMP9 2453/4885MMP13 2261/4885

“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.