SCHEMBL4889864

SCHEMBL4889864

CN(C)C(=O)CCc1ccc(Oc2ccc(C(NC(=O)OC(C)(C)C)C(=O)N(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
MMP13 P45452 1/20 0.37
CACNA1B Q00975 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
UTS2R Q9UKP6 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HAT1 O14929 2/20 0.35
EP300 Q09472 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL4596856 0.92 FFAR1 (0.46) FFAR1CTSSCTSKACACBACACA
SCHEMBL4607919 0.91 CTSS (0.41) FFAR1CTSSCTSKACACBACACA
SCHEMBL4888242 0.91 CTSS (0.41) CTSSCTSKACACBACACAMMP13
SCHEMBL4608785 0.90 CTSK (0.40) CTSSCTSKACACBACACAMMP13
SCHEMBL14045417 0.83 FFAR1 (0.48) FFAR1ACACBACACAUTS2RHAT1
SCHEMBL4890206 0.82 CTSS (0.41) FFAR1CTSSCTSKMMP13GPR88
SCHEMBL3223424 0.79 CTSS (0.47) CTSSCTSKACACBCACNA1BGPR88
SCHEMBL4890128 0.78 CTSS (0.46) FFAR1CTSSCTSKACACBACACA
SCHEMBL14021662 0.77 ITGB3 (0.49) FFAR1CTSSCTSKMMP13ITGB3
SCHEMBL4597076 0.77 ITGB3 (0.49) FFAR1CTSSCTSKMMP13ITGB3

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 9 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-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
US-7399786-B2 Derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. (US) 2008-07-15 US 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
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2007-01-04 US 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 FFAR1 14/4885CTSS 3190/4885CTSK 2275/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 FFAR1 14/4885CTSS 3190/4885CTSK 2275/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 FFAR1 14/4885CTSS 3190/4885CTSK 2275/4885

“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.