SCHEMBL4608263

SCHEMBL4608263

COC(=O)CCc1ccc(-c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.57
ITGA4 P13612 2/20 0.57
ITGB7 P26010 2/20 0.57
CTSS P25774 7/20 0.56
CTSK P43235 6/20 0.56
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
PTPN1 P18031 2/20 0.51
MME P08473 2/20 0.50
ACE2 Q9BYF1 2/20 0.50
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
BCL2 P10415 1/20 0.48
PPARA Q07869 3/20 0.47
PPARG P37231 2/20 0.47
CPA1 P15085 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 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
SCHEMBL14021754 1.00 ACE (0.57) ACEITGA4ITGB7CTSSCTSK
SCHEMBL4608329 0.91 ITGB3 (0.58) ACEITGA4ITGB7CTSSCTSK
SCHEMBL14021672 0.91 ITGB3 (0.58) ACEITGA4ITGB7CTSSCTSK
SCHEMBL9078502 0.90 ACE (0.62) ACEITGA4ITGB7CTSSCTSK
SCHEMBL9078499 0.90 ACE (0.62) ACEITGA4ITGB7CTSSCTSK
SCHEMBL14021755 0.88 CTSS (0.51) ACEITGA4ITGB7CTSSCTSK
SCHEMBL4610265 0.88 CTSS (0.51) ACEITGA4ITGB7CTSSCTSK
SCHEMBL7541832 0.87 REN (0.55) ACEITGB3ITGA2B
SCHEMBL7541415 0.87 KLK5 (0.54) ACEITGA4ITGB7CTSSCTSK
SCHEMBL1326276 0.86 CTSS (0.72) ACEITGA4ITGB7CTSSCTSK

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 ACE 907/4885ITGA4 3403/4885ITGB7 3981/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ACE 907/4885ITGA4 3403/4885ITGB7 3981/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ACE 907/4885ITGA4 3403/4885ITGB7 3981/4885

“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.