SCHEMBL4597517

SCHEMBL4597517

COC(=O)C=Cc1ccc(-c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.55
PPARA Q07869 3/20 0.55
CTSS P25774 6/20 0.53
CTSK P43235 5/20 0.53
ITGA4 P13612 2/20 0.52
ITGB7 P26010 2/20 0.52
ACE P12821 2/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
PTPN1 P18031 2/20 0.48
MME P08473 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
BCL2 P10415 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MMP1 P03956 1/20 0.45

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
SCHEMBL4887436 1.00 PPARG (0.55) PPARGPPARACTSSCTSKITGA4
SCHEMBL14021750 1.00 PPARG (0.55) PPARGPPARACTSSCTSKITGA4
SCHEMBL14021649 0.92 ITGB3 (0.55) PPARGPPARACTSSCTSKITGA4
SCHEMBL4889870 0.92 ITGB3 (0.55) PPARGPPARACTSSCTSKITGA4
SCHEMBL4889863 0.92 ITGB3 (0.55) PPARGPPARACTSSCTSKITGA4
SCHEMBL9077724 0.91 PPARG (0.59) PPARGPPARACTSSCTSKITGA4
SCHEMBL9077727 0.91 PPARG (0.59) PPARGPPARACTSSCTSKITGA4
SCHEMBL14021749 0.85 CTSS (0.58) PPARGPPARACTSSCTSKITGA4
SCHEMBL4595886 0.85 CTSS (0.58) PPARGPPARACTSSCTSKITGA4
SCHEMBL1325182 0.84 CTSS (0.72) PPARGPPARACTSSCTSKITGA4

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-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-A9 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS INC (US) 2007-03-08 WO 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 PPARG 213/4885PPARA 437/4885CTSS 3190/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 PPARG 213/4885PPARA 437/4885CTSS 3190/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 PPARG 213/4885PPARA 437/4885CTSS 3190/4885

“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.