SCHEMBL3092791

SCHEMBL3092791

CC(C)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.71
MMP13 P45452 3/20 0.71
ADAMTS4 O75173 1/20 0.71
MMP7 P09237 1/20 0.71
MMP12 P39900 1/20 0.71
MMP14 P50281 1/20 0.71
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
TP53 P04637 3/20 0.63
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HSD17B10 Q99714 2/20 0.60
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
MAPT P10636 3/20 0.58
PCSK9 Q8NBP7 1/20 0.58
TSHR P16473 1/20 0.55

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
SCHEMBL2245550 0.88 MMP2 (0.58) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL5139773 0.84 ADAMTS4 (0.51) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL2382350 0.83 MMP2 (1.00) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL3618624 0.83 MMP2 (1.00) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL3616920 0.83 MMP2 (1.00) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL3102749 0.82 MMP2 (0.73) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL13180892 0.82 MMP2 (0.54) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL2247853 0.81 MMP2 (0.59) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL12367261 0.81 NPC1 (0.58) MMP2MMP13ADAMTS4MMP7MMP12
SCHEMBL3116705 0.80 MMP2 (0.61) MMP2MMP13ADAMTS4MMP7MMP12

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 2401/4885MMP13 2261/4885ADAMTS4 3197/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 MMP2 2401/4885MMP13 2261/4885ADAMTS4 3197/4885

“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.