SCHEMBL3116705

SCHEMBL3116705

CCOc1cccc2cc(C(=O)Nc3ccc(-c4ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc4)cc3)oc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.61
MMP14 P50281 3/20 0.61
NPSR1 Q6W5P4 1/20 0.49
MMP13 P45452 5/20 0.48
ADAMTS4 O75173 1/20 0.48
MMP7 P09237 1/20 0.48
MMP12 P39900 1/20 0.48
DGAT1 O75907 10/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CSGALNACT1 Q8TDX6 1/20 0.43

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
SCHEMBL3102749 0.90 MMP2 (0.73) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL13180892 0.85 MMP2 (0.54) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3096787 0.83 MMP2 (0.66) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL5867094 0.81 MEN1 (0.57) NPSR1MEN1NPC1MAPTTSHR
SCHEMBL3092791 0.80 MMP2 (0.71) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL13153068 0.79 MMP2 (0.58) MMP2MMP14MMP13DGAT1MEN1
SCHEMBL3100298 0.77 DGAT1 (0.64) NPSR1DGAT1MEN1NPC1MAPT
SCHEMBL3100021 0.77 DGAT1 (0.64) NPSR1DGAT1MEN1NPC1MAPT
SCHEMBL3614308 0.75 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3082191 0.74 NPSR1 (0.77) NPSR1DGAT1NPC1MAPTRAB9A

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 6 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-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

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 MMP2 2401/4885MMP14 2690/4885NPSR1 849/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 MMP2 2401/4885MMP14 2690/4885NPSR1 849/4885

“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.