SCHEMBL4609402

SCHEMBL4609402

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CTSS P25774 7/20 0.43
CTSK P43235 6/20 0.43
ACE P12821 1/20 0.43
ABCB1 P08183 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CTSB P07858 2/20 0.42
CTSL P07711 1/20 0.42
CACNA1B Q00975 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MMP13 P45452 1/20 0.40
BCL2 P10415 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL14021670 1.00 ITGB3 (0.45) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL4597076 0.92 ITGB3 (0.49) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL14021755 0.92 CTSS (0.51) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL14021662 0.92 ITGB3 (0.49) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL4610265 0.92 CTSS (0.51) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL4597733 0.90 ITGB3 (0.45) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL14021684 0.90 ITGB3 (0.45) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL14021661 0.89 HDAC8 (0.50) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL4597270 0.89 HDAC8 (0.50) ITGB3ITGA2BCTSSCTSKACE
SCHEMBL14021672 0.88 ITGB3 (0.58) ITGB3ITGA2BCTSSCTSKACE

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-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-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 ITGB3 3939/4885ITGA2B 4038/4885CTSS 3190/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885CTSS 3190/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ITGB3 3939/4885ITGA2B 4038/4885CTSS 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.