SCHEMBL4608942

SCHEMBL4608942

Cc1ccc(S(=O)(=O)NC(Cc2ccc(Oc3ccc(CCC(=O)NOCc4ccccc4)cc3)cc2)C(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
MMP9 P14780 5/20 0.44
CTSL P07711 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
MMP2 P08253 5/20 0.42
F2 P00734 4/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PLAU P00749 1/20 0.41
HPN P05981 1/20 0.41
ADAMTS4 O75173 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14131144 1.00 MMP13 (0.46) MMP13TDP1MMP9CTSLITGB3
SCHEMBL4608941 0.87 NPSR1 (0.53) MMP13TDP1MMP9CTSLITGB3
SCHEMBL14045371 0.87 NPSR1 (0.53) MMP13TDP1MMP9CTSLITGB3
SCHEMBL4597080 0.86 MMP13 (0.49) MMP13TDP1MMP9ITGB3MMP2
SCHEMBL14045372 0.86 MMP13 (0.49) MMP13TDP1MMP9ITGB3MMP2
SCHEMBL14144139 0.84 MEN1 (0.42) MMP9ITGB3ITGA2BMEN1GAA
SCHEMBL14115851 0.84 F2 (0.50) MMP13TDP1MMP9CTSLMMP2
SCHEMBL4608847 0.84 F2 (0.50) MMP13TDP1MMP9CTSLMMP2
SCHEMBL14045407 0.83 TDP1 (0.48) MMP13TDP1MMP9CTSLITGB3
SCHEMBL4609773 0.83 TDP1 (0.48) MMP13TDP1MMP9CTSLITGB3

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 MMP13 3707/4885TDP1 3135/4885MMP9 4643/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 MMP13 3707/4885TDP1 3135/4885MMP9 4643/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 MMP13 3707/4885TDP1 3135/4885MMP9 4643/4885

“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.