SCHEMBL3096829

SCHEMBL3096829

Cc1ccc(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)N(C)[C@H](C(=O)O)C(C)C)cc3)cc2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.59
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX12 P18054 1/20 0.50
MMP9 P14780 6/20 0.46
MMP2 P08253 6/20 0.46
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP14 P50281 4/20 0.46
MMP1 P03956 3/20 0.46
TP53 P04637 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MMP3 P08254 1/20 0.44
MMP16 P51512 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3099682 0.91 ADAMTS4 (0.56) ADAMTS4KMT2AMAPTMEN1HTT
SCHEMBL3092924 0.90 MAPT (0.46) ADAMTS4KMT2AMAPTMEN1HTT
SCHEMBL3096015 0.87 ADAMTS4 (0.58) ADAMTS4KMT2AMAPTMEN1HTT
SCHEMBL13153069 0.86 ADAMTS4 (0.53) ADAMTS4KMT2AMAPTMEN1MMP9
SCHEMBL3098838 0.85 ADAMTS4 (0.61) ADAMTS4KMT2AMAPTMEN1HTT
SCHEMBL3088536 0.85 MAPT (0.63) ADAMTS4KMT2AMAPTMEN1HTT
SCHEMBL3103323 0.83 NPC1 (0.48) KMT2AMAPTMEN1TP53NPC1
SCHEMBL3103331 0.80 KDM4E (0.55) ADAMTS4KMT2AMAPTMEN1HTT
SCHEMBL3097138 0.79 MMP2 (0.68) ADAMTS4MMP9MMP2MMP8MMP12
SCHEMBL3092525 0.77 ADAMTS4 (0.65) ADAMTS4KMT2AMAPTMEN1HTT

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 12 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
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 3197/4885KMT2A 636/4885MAPT 3315/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 ADAMTS4 3197/4885KMT2A 636/4885MAPT 3315/4885

“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.