SCHEMBL4889863

SCHEMBL4889863

COC(=O)/C=C/c1ccc(Oc2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
PPARG P37231 4/20 0.53
PPARA Q07869 2/20 0.53
ACE P12821 1/20 0.50
PTPN1 P18031 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
SCN9A Q15858 1/20 0.46
CTSS P25774 6/20 0.45
CTSK P43235 5/20 0.45
MMP13 P45452 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL14021649 1.00 ITGB3 (0.55) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL4889870 1.00 ITGB3 (0.55) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL14021750 0.92 PPARG (0.55) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL4597517 0.92 PPARG (0.55) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL4887436 0.92 PPARG (0.55) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL9077727 0.89 PPARG (0.59) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL9077724 0.89 PPARG (0.59) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL3867713 0.86 ITGB3 (0.60) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL3867720 0.86 ITGB3 (0.60) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL4595997 0.85 ACE (0.51) ITGB3ITGA2BPPARGPPARAACE

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 5 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
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 4038/4885PPARG 213/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885PPARG 213/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885PPARG 213/4885

“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.