SCHEMBL4609977

SCHEMBL4609977

CN(C)C(=O)C(Cc1ccc(Oc2ccc(CCC(=O)NOCc3ccccc3)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
CTSS P25774 5/20 0.45
CTSK P43235 4/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
BCL2 P10415 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
PPARA Q07869 1/20 0.44
CASP1 P29466 1/20 0.44
PTPN1 P18031 2/20 0.44
CA2 P00918 1/20 0.42
MMP14 P50281 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
REN P00797 1/20 0.42

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
SCHEMBL14021664 1.00 ACE (0.48) ACEMMP9MMP8CTSSCTSK
SCHEMBL14021783 0.91 ACE (0.44) ACEMMP9MMP8CTSSCTSK
SCHEMBL4609482 0.91 ACE (0.44) ACEMMP9MMP8CTSSCTSK
SCHEMBL14021662 0.86 ITGB3 (0.49) ACEMMP9MMP8CTSSCTSK
SCHEMBL4597076 0.86 ITGB3 (0.49) ACEMMP9MMP8CTSSCTSK
SCHEMBL4597270 0.85 HDAC8 (0.50) ACEMMP9MMP8CTSSCTSK
SCHEMBL14021661 0.85 HDAC8 (0.50) ACEMMP9MMP8CTSSCTSK
SCHEMBL4597733 0.84 ITGB3 (0.45) ACEMMP9MMP8CTSSCTSK
SCHEMBL14021684 0.84 ITGB3 (0.45) ACEMMP9MMP8CTSSCTSK
SCHEMBL14021710 0.83 P2RX7 (0.49) ACECTSSCTSKCTSLCTSB

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 ACE 907/4885MMP9 4643/4885MMP8 2905/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ACE 907/4885MMP9 4643/4885MMP8 2905/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ACE 907/4885MMP9 4643/4885MMP8 2905/4885

“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.