SCHEMBL4609773

SCHEMBL4609773

COC(=O)CCc1ccc(Oc2ccc(CC(NS(=O)(=O)c3ccc(C)cc3)C(=O)N(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MMP13 P45452 1/20 0.46
F2 P00734 7/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
IDO1 P14902 1/20 0.42
PRSS1 P07477 1/20 0.42
MMP9 P14780 2/20 0.42
MMP2 P08253 1/20 0.42
CTSL P07711 1/20 0.41
EGFR P00533 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 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
SCHEMBL14045407 1.00 TDP1 (0.48) TDP1MMP13F2ALDH1A1NPSR1
SCHEMBL14115849 0.92 TDP1 (0.50) TDP1MMP13F2ALDH1A1NPSR1
SCHEMBL4608941 0.92 NPSR1 (0.53) TDP1MMP13F2ALDH1A1NPSR1
SCHEMBL4608465 0.92 TDP1 (0.50) TDP1MMP13F2ALDH1A1NPSR1
SCHEMBL14045371 0.92 NPSR1 (0.53) TDP1MMP13F2ALDH1A1NPSR1
SCHEMBL14045372 0.89 MMP13 (0.49) TDP1MMP13F2ALDH1A1NPSR1
SCHEMBL4597080 0.89 MMP13 (0.49) TDP1MMP13F2ALDH1A1NPSR1
SCHEMBL4597749 0.83 TDP1 (0.54) TDP1MMP13F2MMP9MMP2
SCHEMBL4608942 0.83 MMP13 (0.46) TDP1MMP13F2ALDH1A1NPSR1
SCHEMBL14131144 0.83 MMP13 (0.46) TDP1MMP13F2ALDH1A1NPSR1

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 TDP1 3135/4885MMP13 3707/4885F2 3330/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 TDP1 3135/4885MMP13 3707/4885F2 3330/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 TDP1 3135/4885MMP13 3707/4885F2 3330/4885

“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.