SCHEMBL3096015

SCHEMBL3096015

CC(C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.58
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
DGAT1 O75907 1/20 0.47
PRMT1 Q99873 1/20 0.47
BCAT2 O15382 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP9 P14780 4/20 0.46
MMP2 P08253 4/20 0.45
MMP14 P50281 2/20 0.45
MMP1 P03956 1/20 0.45
CA1 P00915 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
SCHEMBL3088536 0.89 MAPT (0.63) ADAMTS4MEN1KMT2AMAPTKDM4E
SCHEMBL3096829 0.87 ADAMTS4 (0.59) ADAMTS4MEN1KMT2AMAPTKDM4E
SCHEMBL3098838 0.84 ADAMTS4 (0.61) ADAMTS4MEN1KMT2AMAPTKDM4E
SCHEMBL3099682 0.84 ADAMTS4 (0.56) ADAMTS4MEN1KMT2AMAPTKDM4E
SCHEMBL3087236 0.83 MEN1 (0.51) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL3103331 0.79 KDM4E (0.55) ADAMTS4MEN1KMT2AMAPTKDM4E
SCHEMBL3092924 0.77 MAPT (0.46) ADAMTS4MEN1KMT2AMAPTKDM4E
SCHEMBL3092525 0.76 ADAMTS4 (0.65) ADAMTS4MEN1KMT2AMAPTKDM4E
SCHEMBL3100467 0.76 MEN1 (0.53) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL3105716 0.75 CA1 (0.56) MEN1KMT2AMAPTKDM4ENPC1

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 3197/4885MEN1 4210/4885KMT2A 636/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 ADAMTS4 3197/4885MEN1 4210/4885KMT2A 636/4885

“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.