SCHEMBL4608329

SCHEMBL4608329

COC(=O)CCc1ccc(Oc2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
ACE P12821 1/20 0.55
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
PTPN1 P18031 3/20 0.50
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
SCN9A Q15858 1/20 0.48
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
ABCB1 P08183 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KMT2A Q03164 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
SCHEMBL14021672 1.00 ITGB3 (0.58) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL14021754 0.91 ACE (0.57) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL4608263 0.91 ACE (0.57) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL9078502 0.88 ACE (0.62) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL9078499 0.88 ACE (0.62) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL4609402 0.88 ITGB3 (0.45) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL14021670 0.88 ITGB3 (0.45) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL14021782 0.87 ACE (0.54) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL4890846 0.87 ACE (0.54) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL3923937 0.86 ACE (0.65) ITGB3ITGA2BACEPTPN1PPARA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS, INC. 2008-10-23 US disclosed
US-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2008-07-24 US disclosed
US-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2008-07-24 US disclosed
US-7399786-B2 Derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. (US) 2008-07-15 US disclosed
EP-1907352-A2 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS Bexel Pharmaceuticals Inc (US) 2008-04-09 EP disclosed
WO-2007005774-A2 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO disclosed
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2007-01-04 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 (3 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-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885ACE 907/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885ACE 907/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885ACE 907/4885

“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.