SCHEMBL4597423

SCHEMBL4597423

CN(C)C(=O)C(Cc1ccc(-c2ccc(CCC(=O)NO)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.50
CTSK P43235 6/20 0.50
HDAC8 Q9BY41 2/20 0.47
ACE P12821 1/20 0.46
HDAC2 Q92769 1/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP14 P50281 1/20 0.45
HDAC1 Q13547 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
BCL2 P10415 1/20 0.43
CTSB P07858 2/20 0.43
CTSL P07711 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL14021759 1.00 CTSS (0.50) CTSSCTSKHDAC8ACEHDAC2
SCHEMBL14021661 0.92 HDAC8 (0.50) CTSSCTSKHDAC8ACEHDAC2
SCHEMBL4597270 0.92 HDAC8 (0.50) CTSSCTSKHDAC8ACEHDAC2
SCHEMBL4609641 0.90 CTSS (0.55) CTSSCTSKACEMMP9MMP8
SCHEMBL14021756 0.90 CTSS (0.55) CTSSCTSKACEMMP9MMP8
SCHEMBL4597233 0.88 CTSS (0.51) CTSSCTSKACEMMP9MMP8
SCHEMBL4610265 0.88 CTSS (0.51) CTSSCTSKACEMMP9MMP8
SCHEMBL14021767 0.88 CTSS (0.51) CTSSCTSKACEMMP9MMP8
SCHEMBL14021755 0.88 CTSS (0.51) CTSSCTSKACEMMP9MMP8
SCHEMBL14021758 0.85 CTSS (0.52) CTSSCTSKHDAC8ACEMMP9

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 CTSS 3190/4885CTSK 2275/4885HDAC8 3261/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 CTSS 3190/4885CTSK 2275/4885HDAC8 3261/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 CTSS 3190/4885CTSK 2275/4885HDAC8 3261/4885

“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.