SCHEMBL4595997

SCHEMBL4595997

COC(=O)/C=C/c1ccccc1Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PTPN1 P18031 3/20 0.49
HDAC8 Q9BY41 1/20 0.47
SCN9A Q15858 1/20 0.47
GAA P10253 1/20 0.46
CTSS P25774 4/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
APP P05067 1/20 0.44
PPARD Q03181 1/20 0.43

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
SCHEMBL4595999 1.00 ACE (0.51) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL14021780 1.00 ACE (0.51) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL4609094 0.87 ACE (0.55) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL14021773 0.87 ACE (0.55) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL14021649 0.85 ITGB3 (0.55) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL4889870 0.85 ITGB3 (0.55) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL4889863 0.85 ITGB3 (0.55) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL3923937 0.81 ACE (0.65) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL3923929 0.81 ACE (0.65) ACEITGB3ITGA2BPTPN1HDAC8
SCHEMBL3925152 0.81 ACE (0.65) ACEITGB3ITGA2BPTPN1HDAC8

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 907/4885ITGB3 3939/4885ITGA2B 4038/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ACE 907/4885ITGB3 3939/4885ITGA2B 4038/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ACE 907/4885ITGB3 3939/4885ITGA2B 4038/4885

“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.