SCHEMBL3088972

SCHEMBL3088972

COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
HCRTR1 O43613 9/20 0.51
HCRTR2 O43614 9/20 0.51
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
SCN3A Q9NY46 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 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
SCHEMBL3091653 0.89 DGAT1 (0.61) DGAT1HCRTR1HCRTR2BRD4ALDH1A1
SCHEMBL20291414 0.86 BRD4 (0.66) HCRTR1HCRTR2BRD4ALDH1A1MMP2
SCHEMBL13153064 0.82 HCRTR1 (0.52) DGAT1HCRTR1HCRTR2ALDH1A1MMP2
SCHEMBL20291408 0.82 ALDH1A1 (0.58) HCRTR1HCRTR2BRD4ALDH1A1MMP2
SCHEMBL20291410 0.81 ALDH1A1 (0.69) HCRTR1HCRTR2ALDH1A1TSHRMAPK1
SCHEMBL20291390 0.81 ALDH1A1 (0.65) HCRTR1HCRTR2BRD4ALDH1A1L3MBTL1
SCHEMBL28962077 0.79 ALDH1A1 (0.53) HCRTR1HCRTR2ALDH1A1MMP2MMP9
SCHEMBL28926521 0.79 ALDH1A1 (0.53) HCRTR1HCRTR2ALDH1A1MMP2MMP9
SCHEMBL28926493 0.79 ALDH1A1 (0.53) HCRTR1HCRTR2ALDH1A1MMP2MMP9
SCHEMBL28926492 0.79 ALDH1A1 (0.53) HCRTR1HCRTR2ALDH1A1MMP2MMP9

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 4 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 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
EP-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP disclosed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO 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 2018/4885HCRTR1 912/4885HCRTR2 832/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885HCRTR1 912/4885HCRTR2 832/4885

“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.