SCHEMBL3103290

SCHEMBL3103290

Cc1cccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N4CCC[C@@H]4C(=O)O)cc3)cc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.56
ITGB1 P05556 2/20 0.52
ITGA4 P13612 2/20 0.52
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA5 P08648 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.46

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
SCHEMBL3105657 0.97 DGAT1 (0.53) DGAT1ITGB1ITGA4ITGB3ITGAV
SCHEMBL3094864 0.89 DGAT1 (0.58) DGAT1ITGB1ITGA4ITGB3ITGAV
SCHEMBL3092210 0.86 DGAT1 (0.55) DGAT1ITGB1ITGA4ITGB3ITGAV
SCHEMBL3103157 0.84 DGAT1 (0.66) DGAT1MEN1KMT2ATDP1ALDH1A1
SCHEMBL3100586 0.84 DGAT1 (0.66) DGAT1MEN1KMT2ATDP1ALDH1A1
SCHEMBL3094852 0.84 DGAT1 (0.53) DGAT1ITGB1ITGA4ITGB3ITGAV
SCHEMBL3094425 0.84 DGAT1 (0.53) DGAT1ITGB1ITGA4ITGB3ITGAV
SCHEMBL3103397 0.84 DGAT1 (0.57) DGAT1ALDH1A1L3MBTL1
SCHEMBL3096290 0.83 DGAT1 (0.77) DGAT1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL3100578 0.82 DGAT1 (0.62) DGAT1MEN1KMT2ATDP1ALDH1A1

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 8 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
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 DGAT1 2018/4885ITGB1 4504/4885ITGA4 4671/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885ITGB1 4504/4885ITGA4 4671/4885

“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.