SCHEMBL3084071

SCHEMBL3084071

CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.65
MMP2 P08253 12/20 0.65
MMP13 P45452 10/20 0.65
MMP3 P08254 8/20 0.65
MMP9 P14780 8/20 0.65
MMP1 P03956 7/20 0.65
MMP7 P09237 7/20 0.65
DGAT1 O75907 1/20 0.57
MMP14 P50281 1/20 0.56
MMP12 P39900 2/20 0.56

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
SCHEMBL3105599 0.88 MMP2 (0.66) ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL3100100 0.83 MMP2 (0.62) ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL3098968 0.81 DGAT1 (0.70) DGAT1
SCHEMBL3089017 0.81 DGAT1 (0.70) DGAT1
SCHEMBL4653257 0.80 MMP2 (1.00) ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL1750956 0.80 MMP2 (1.00) ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL32691806 0.80 MMP2 (1.00) ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL3100292 0.79 MMP2 (0.66) ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL20124752 0.79 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL7408889 0.78 MMP2 (1.00) ADAMTS4MMP2MMP13MMP3MMP9

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-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 ADAMTS4 3197/4885MMP2 2401/4885MMP13 2261/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 ADAMTS4 3197/4885MMP2 2401/4885MMP13 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.