SCHEMBL4597080

SCHEMBL4597080

Cc1ccc(S(=O)(=O)NC(Cc2ccc(Oc3ccc(CCC(=O)NO)cc3)cc2)C(=O)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.49
TDP1 Q9NUW8 1/20 0.47
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
F2 P00734 3/20 0.43
BMP1 P13497 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP14 P50281 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 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
SCHEMBL14045372 1.00 MMP13 (0.49) MMP13TDP1MMP2MMP9ALDH1A1
SCHEMBL4607741 0.91 TDP1 (0.50) MMP13TDP1MMP2MMP9ALDH1A1
SCHEMBL4608941 0.91 NPSR1 (0.53) MMP13TDP1MMP2MMP9ALDH1A1
SCHEMBL14045371 0.91 NPSR1 (0.53) MMP13TDP1MMP2MMP9ALDH1A1
SCHEMBL14115850 0.91 TDP1 (0.50) MMP13TDP1MMP2MMP9ALDH1A1
SCHEMBL4609773 0.89 TDP1 (0.48) MMP13TDP1MMP2MMP9ALDH1A1
SCHEMBL14045407 0.89 TDP1 (0.48) MMP13TDP1MMP2MMP9ALDH1A1
SCHEMBL4597749 0.86 TDP1 (0.54) MMP13TDP1MMP2MMP9F2
SCHEMBL4608942 0.86 MMP13 (0.46) MMP13TDP1MMP2MMP9ALDH1A1
SCHEMBL14131144 0.86 MMP13 (0.46) MMP13TDP1MMP2MMP9ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2008-07-24 US claimed
US-7399786-B2 Derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. (US) 2008-07-15 US claimed
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2007-01-04 US claimed
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 3135/4885MMP2 3450/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 MMP13 3707/4885TDP1 3135/4885MMP2 3450/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 MMP13 3707/4885TDP1 3135/4885MMP2 3450/4885

“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.