SCHEMBL4598735

SCHEMBL4598735

CC(C)(C)OC(=O)NC(Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.52
CTSK P43235 3/20 0.52
PPARA Q07869 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
PPARG P37231 1/20 0.52
BCL2 P10415 2/20 0.51
ACE P12821 1/20 0.50
PTPN1 P18031 2/20 0.49
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
KLK5 Q9Y337 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL14003011 1.00 CTSS (0.52) CTSSCTSKPPARACTSLCTSB
SCHEMBL4598613 0.91 HDAC8 (0.51) CTSSCTSKPPARACTSLCTSB
SCHEMBL14003018 0.91 HDAC8 (0.51) CTSSCTSKPPARACTSLCTSB
SCHEMBL4597543 0.89 NPC1 (0.51) CTSSCTSKPPARACTSLCTSB
SCHEMBL14003027 0.89 NPC1 (0.51) CTSSCTSKPPARACTSLCTSB
SCHEMBL22404737 0.88 CTSS (0.64) CTSSCTSKPPARACTSLCTSB
SCHEMBL3355326 0.88 CTSS (0.64) CTSSCTSKPPARACTSLCTSB
SCHEMBL85543 0.88 CTSS (0.64) CTSSCTSKPPARACTSLCTSB
SCHEMBL4597807 0.88 PPARA (0.52) CTSSCTSKPPARACTSLCTSB
SCHEMBL14003009 0.88 PPARA (0.52) CTSSCTSKPPARACTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CTSS 1501/4885CTSK 975/4885PPARA 355/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 CTSS 1585/4885CTSK 1075/4885PPARA 446/4885

“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.