SCHEMBL3096842

SCHEMBL3096842

COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccc(C(=O)N(C)C(C)(C)C(=O)O)cc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
PLAU P00749 4/20 0.50
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3099910 0.84 PTPN1 (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL3103305 0.82 NPC1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL3099892 0.81 NPC1 (0.50) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL3094728 0.81 PTPN1 (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3095746 0.81 NPC1 (0.57) KMT2ANPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL13515931 0.80 MEN1 (0.54) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL3100026 0.79 NR1H4 (0.48) ALDH1A1PLAURAB9ASMN1; SMN2HPGD
SCHEMBL3096423 0.79 KCNQ3 (0.48) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL3100715 0.79 PTPN1 (0.43) MEN1KMT2AALDH1A1PLAUTP53
SCHEMBL5133709 0.78 MEN1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 MEN1 4210/4885KMT2A 636/4885CASP3 1237/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 MEN1 4210/4885KMT2A 636/4885CASP3 1237/4885

“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.