SCHEMBL4597749

SCHEMBL4597749

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MMP9 P14780 3/20 0.51
MMP13 P45452 2/20 0.51
CTSL P07711 1/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 4/20 0.42
MMP2 P08253 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MAPK14 Q16539 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
USP30 Q70CQ3 1/20 0.41
CA2 P00918 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
SCHEMBL4597815 0.91 TDP1 (0.57) TDP1MMP9MMP13CTSLL3MBTL1
SCHEMBL5123529 0.91 MMP13 (0.51) TDP1MMP9MMP13CTSLITGB3
SCHEMBL4598594 0.91 TDP1 (0.49) TDP1MMP9MMP13CTSLITGB3
SCHEMBL4597834 0.91 MMP13 (0.51) TDP1MMP9MMP13CTSLITGB3
SCHEMBL4598174 0.90 TDP1 (0.48) TDP1MMP9MMP13CTSLITGB3
SCHEMBL4597080 0.86 MMP13 (0.49) TDP1MMP9MMP13ITGB3MEN1
SCHEMBL14045372 0.86 MMP13 (0.49) TDP1MMP9MMP13ITGB3MEN1
SCHEMBL4608941 0.85 NPSR1 (0.53) TDP1MMP9MMP13CTSLITGB3
SCHEMBL14045371 0.85 NPSR1 (0.53) TDP1MMP9MMP13CTSLITGB3
SCHEMBL14045407 0.83 TDP1 (0.48) TDP1MMP9MMP13CTSLITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives BEXEL PHARMACEUTICALS. INC. 2008-08-21 US claimed
EP-1906731-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES Bexel Pharmaceuticals Inc (US) 2008-04-09 EP claimed
WO-2007005603-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO claimed
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. 2007-01-04 US claimed
US-7456292-B2 Hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. (US) 2008-11-25 US disclosed
US-7456292-B2 Hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. (US) 2008-11-25 US disclosed
US-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives BEXEL PHARMACEUTICALS. INC. 2008-08-21 US disclosed
US-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives BEXEL PHARMACEUTICALS. INC. 2008-08-21 US disclosed
EP-1906731-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES Bexel Pharmaceuticals Inc (US) 2008-04-09 EP disclosed
WO-2007005603-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO disclosed
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives 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 (2 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-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives HGFAC, HCAR2, BCAT1 TDP1 4051/4885MMP9 1292/4885MMP13 534/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 TDP1 3873/4885MMP9 1385/4885MMP13 639/4885

“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.