SCHEMBL4609482

SCHEMBL4609482

CN(C)C(=O)C(Cc1ccc(Oc2ccccc2CCC(=O)NOCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.44
PTPN1 P18031 3/20 0.42
BCL2 P10415 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 2/20 0.42
CTSK P43235 2/20 0.42
CTSB P07858 1/20 0.42
PPARA Q07869 1/20 0.41
REN P00797 2/20 0.39
MMP14 P50281 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB10 P40306 1/20 0.39

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
SCHEMBL14021783 1.00 ACE (0.44) ACEPTPN1BCL2MMP9MMP8
SCHEMBL14021664 0.91 ACE (0.48) ACEPTPN1BCL2MMP9MMP8
SCHEMBL4609977 0.91 ACE (0.48) ACEPTPN1BCL2MMP9MMP8
SCHEMBL4649784 0.89 ACE (0.46) ACEPTPN1BCL2MMP9MMP8
SCHEMBL14021784 0.89 ACE (0.46) ACEPTPN1BCL2MMP9MMP8
SCHEMBL4597563 0.88 HDAC8 (0.49) ACEPTPN1BCL2MMP9MMP8
SCHEMBL14021785 0.88 HDAC8 (0.49) ACEPTPN1BCL2MMP9MMP8
SCHEMBL14021781 0.86 ACE (0.43) ACEPTPN1BCL2MMP9MMP8
SCHEMBL4596935 0.86 ACE (0.43) ACEPTPN1BCL2MMP9MMP8
SCHEMBL14021782 0.78 ACE (0.54) ACEPTPN1HDAC8CTSSCTSL

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 907/4885PTPN1 2674/4885BCL2 3723/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ACE 907/4885PTPN1 2674/4885BCL2 3723/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ACE 907/4885PTPN1 2674/4885BCL2 3723/4885

“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.