SCHEMBL4597270

SCHEMBL4597270

CN(C)C(=O)C(Cc1ccc(Oc2ccc(CCC(=O)NO)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.50
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ACE P12821 1/20 0.44
MMP13 P45452 1/20 0.44
CTSS P25774 6/20 0.44
CTSK P43235 5/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP14 P50281 1/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL14021661 1.00 HDAC8 (0.50) HDAC8ITGB3ITGA2BACEMMP13
SCHEMBL4597423 0.92 CTSS (0.50) HDAC8ITGB3ITGA2BACECTSS
SCHEMBL14021759 0.92 CTSS (0.50) HDAC8ITGB3ITGA2BACECTSS
SCHEMBL14021662 0.91 ITGB3 (0.49) HDAC8ITGB3ITGA2BACEMMP13
SCHEMBL4597076 0.91 ITGB3 (0.49) HDAC8ITGB3ITGA2BACEMMP13
SCHEMBL4597733 0.89 ITGB3 (0.45) HDAC8ITGB3ITGA2BACEMMP13
SCHEMBL14021670 0.89 ITGB3 (0.45) HDAC8ITGB3ITGA2BACEMMP13
SCHEMBL4609402 0.89 ITGB3 (0.45) HDAC8ITGB3ITGA2BACEMMP13
SCHEMBL14021684 0.89 ITGB3 (0.45) HDAC8ITGB3ITGA2BACEMMP13
SCHEMBL4597563 0.88 HDAC8 (0.49) HDAC8ITGB3ITGA2BACEMMP13

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-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-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 HDAC8 3261/4885ITGB3 3939/4885ITGA2B 4038/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 HDAC8 3261/4885ITGB3 3939/4885ITGA2B 4038/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 HDAC8 3261/4885ITGB3 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.