SCHEMBL3105657

SCHEMBL3105657

Cc1cccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N4CCCC[C@H]4C(=O)O)cc3)cc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA5 P08648 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL3103290 0.97 DGAT1 (0.56) DGAT1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3092210 0.89 DGAT1 (0.55) DGAT1ALDH1A1TDP1ITGB1ITGA4
SCHEMBL3094864 0.86 DGAT1 (0.58) DGAT1ALDH1A1ITGB1ITGA4ITGB3
SCHEMBL3094423 0.85 DGAT1 (0.50) DGAT1ALDH1A1TDP1L3MBTL1
SCHEMBL3100578 0.85 DGAT1 (0.62) DGAT1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3100494 0.84 DGAT1 (0.53) DGAT1ALDH1A1TDP1L3MBTL1
SCHEMBL3102654 0.84 DGAT1 (0.73) DGAT1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL3103131 0.83 DGAT1 (0.54) DGAT1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3103157 0.82 DGAT1 (0.66) DGAT1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3100586 0.82 DGAT1 (0.66) DGAT1ALDH1A1MAPTHPGDSMN1; 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 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 2018/4885ALDH1A1 793/4885MAPT 3315/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885ALDH1A1 793/4885MAPT 3315/4885

“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.