SCHEMBL3103015

SCHEMBL3103015

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP3 P08254 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 2/20 0.43
MMP7 P09237 1/20 0.43
MMP14 P50281 2/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP16 P51512 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL1761371 0.84 PHLPP2 (0.38) MMP2MMP9MMP3MMP13MMP1
SCHEMBL1761787 0.80 MAPK1 (0.49) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL28748913 0.79 PHLPP2 (0.39) ALDH1A1MAPTHPGDHDAC4PHLPP2
SCHEMBL18122891 0.79 PHLPP2 (0.39) ALDH1A1MAPTHPGDHDAC4PHLPP2
SCHEMBL3099535 0.77 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9A
SCHEMBL3095777 0.76 PTPN1 (0.61) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL3099609 0.76 MEN1 (0.49) ALDH1A1MAPTNPC1RAB9A
SCHEMBL17313716 0.76 ADAMTS4 (0.35) ADAMTS4MMP2MMP9MMP13MMP8
SCHEMBL3096929 0.75 PTPN1 (0.59) NPC1RAB9A
SCHEMBL2295309 0.75 SMN1; SMN2 (0.52) RAB9A

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 4 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 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
EP-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP disclosed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO 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 2401/4885MMP9 2453/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 ADAMTS4 3197/4885MMP2 2401/4885MMP9 2453/4885

“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.